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PUBLICATIONS

Title Journal Information PMID Authors PI PI Institute
A combination of two human monoclonal antibodies limits fetal damage by Zika virus in macaques PNAS 117 (14) 7981-7989 32209664

Koen K. A. Van Rompay Lark L. Coffey, Tania Kapoor,Anna Gazumyan, Rebekah I. Keesler, Andrea Jurado Avery Peace, Marianna Agudelo, Jennifer Watanabe, Jodie Usachenko, Anil Singapuri, Ramya Immareddy, Amir Ardeshir, Jackson B. Stuart, Stylianos Bournazos, Jeffrey V. Ravetch, Paul J. Balderes, Ivo C. Lorenz, Shannon R. Esswein, Jennifer R. Keeffe, Pamela J. Bjorkman, Qiao Wang, Charles M. Rice, Margaret R. MacDonald, Michel C. Nussenzweig, Davide F. Robbiani

Michel C. Nussenzweig, Davide F. Robbiani RU
SLITRK5 is a negative regulator of hedgehog signaling in osteoblasts Nat Commun 12, 4611 (2021) 34326333

Jun Sun, Dong Yeon Shin, Mark Eiseman, Alisha R. Yallowitz,NaLi, Sarfaraz Lalani, Zan Li, Michelle Cung, Seoyeon Bok, Shawon Debnath, Sofia Jenia Marquez, Tommy E. White, Abdul G. Khan, Ivo C. Lorenz, Jae-Hyuck Shim, Francis S. Lee, Ren Xu, Matthew B. Greenblatt

Matthew B. Greenblatt WCM
A TCR mimic monoclonal antibody for the HPV-16 E7-epitope p11-19/HLA-A*02:01 complex PLoS ONE 17(3), March 17, 2022 35298559

Tao Dao , Sungsoo Mun , Tatyana Korontsvit, Abdul G. Khan, Mary Ann Pohl, Thomas White, Martin G. Klatt, David Andrew, Ivo C. Lorenz, David A. Scheinberg

David A. Scheinberg MSK
A Chemical Strategy toward Novel Brain-Penetrant EZH2 Inhibitors ACS Med. Chem. Lett. 2022, 13, 3, 377–387 35300079
Rui Liang, Daisuke Tomita, Yusuke Sasaki, John Ginn, Mayako Michino, David J. Huggins, Leigh Baxt, Stacia Kargman, Maaz Shahid, Kazuyoshi Aso, Mark Duggan, Andrew W. Stamford, Elisa DeStanchina, Nigel Liverton, Peter T. Meinke, Michael A. Foley, Richard E. Phillips
Richard E. Phillips MSK
Transforming Academic Drug Discovery Chem Bio Chem, Volume23, Issue8, April 20, 2022 35181980

Peter T. Meinke

Peter T. Meinke TDI
Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates J. Med. Chem. 2022, 65, 22, 15208–15226 36346696

Michael Miller, Thomas Rossetti, Jacob Ferreira, Lubna Ghanem, Melanie Balbach, Navpreet Kaur, Lonny R. Levin, Jochen Buck, Maria Kehr, Sandrine Coquille, Joop van den Heuvel, Clemens Steegborn, Makoto Fushimi, Efrat Finkin-Groner, Robert W. Myers, Stacia Kargman, Nigel J. Liverton, David J. Huggins, Peter T. Meinke

Levin/ Buck WCM
A TCR mimic monoclonal antibody reactive with the "public" phospho-neoantigen pIRS2/HLA-A*02:01 complex. JCI Insight. 2022;7(5):e151624 35260532

Tao Dao, Sung Soo Mun,  Zaki Molvi, Tatyana Korontsvit, Martin G Klatt, Abdul G Khan, Elisabeth K Nyakatura, Mary Ann Pohl, Thomas E White, Paul J Baldere, Ivo C Lorenz , Richard J O'Reilly, David A Scheinberg 

David A Scheinberg  MSK
Comparing the Performance of Different AMBER Protein Forcefields, Partial Charge Assignments, and Water Models for Absolute Binding Free Energy Calculations J. Chem. Theory Comput. 2022, 18, 4, 2616–2630 35266690 David J. Huggins David J. Huggins TDI
Design, Synthesis, and Optimization of Macrocyclic Peptides as Species-Selective Antimalaria Proteasome Inhibitors J. Med. Chem. 2022, 65, 13, 9350–9375 35727231

Hao Zhang, John Ginn , Wenhu Zhan, Yi J. Liu, Annie Leung, Akinori Toita, Rei Okamoto, Tzu-Tshin Wong, Toshihiro Imaeda, Ryoma Hara, Takafumi Yukawa, Mayako Michino, Jeremie Vendome, Thijs Beuming, Kenjiro Sato, Kazuyoshi Aso, Peter T. Meinke, Carl F. Nathan, Laura A. Kirkman, Gang Lin

Gang Lin WCM
Characterization of Pyrrolidinyl-hexahydro-pyranopiperazines as a Novel Kappa Opioid Receptor Agonist Scaffold ACS Chem. Neurosci. 2022, 13, 13, 1849–1856 35738565

Brian Reed, Michael Miller, Mayako Michino, Eduardo R. Butelman, Ariel Ben-Ezra, Philip Pikus, Michelle Morochnik, Yuli Kim, Amy Ripka, Joseph Vacca, Mary Jeanne Kreek

Mary Jeanne Kreek RU
Development of an improved inhibitor of Lats kinases to promote regeneration of mammalian organs PNAS, July 8, 2022 34035288

NathanielR. Kastan, Sanyukta Oak, Rui Liang, Leigh Baxt, Robert W. Myers, John Ginn, Nigel Liverton, David J. Huggins, John Pichardo, Matthew Paul, Thomas S. Carroll, Aaron Nagiel, Ksenia Gnedeva, A. J. Hudspeth 

A. J. Hudspeth  RU
Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculations Front. Mol. Biosci., 12 September 2022 36225254 Shan Sun, David J. Huggins David J. Huggins TDI
Small-molecule inhibition of the acyl-lysine reader ENL as a strategy against acute myeloid leukemia. Cacer Discovery, Nov. 2, 2022 36053276

Yiman Liu, Qinglan Li, Fatemeh Alikarami, Declan R. Barrett, Leila Mahdavi, Hangpeng Li, Sylvia Tang, Tanweer A. Khan, Mayako Michino, Connor Hill, Lele Song, Lu Yang, Yuanyuan Li, Sheela Pangeni Pokharel, Andrew W. Stamford, Nigel Liverton, Louis M. Renzetti, Simon Taylor, Gillian F. Watt, Tammy Ladduwahetty, Stacia Kargman, Peter T. Meinke, Michael A. Foley, Junwei Shi, Haitao Li, Martin Carroll, Chun-Wei Chen, Alessandro Gardini, Ivan Maillard, David J. Huggins, Kathrin M. Bernt, Liling Wan 

Liling Wan RU
Assessing potency and binding kinetics of soluble adenylyl cyclase (sAC) inhibitors to maximize therapeutic potential Front. Physiol., 28 September 2022 36246105

Thomas Rossetti, Jacob Ferreira,  Lubna Ghanem,  Hannes Buck, Clemens Steegborn, Robert W. Myers,  Peter T. Meinke, Lonny R. Levin, Jochen Buck

Lonny R. Levin, Jochen Buck WCM
Neuropeptide regulation of non-redundant ILC2 responses and tissue homeostasis Nature, Nov. 2, 2022 36323781

Amy M. Tsou, Hiroshi Yano, Christopher N. Parkhurst, Tanel Mahlakõiv, Coco Chu, Wen Zhang, Zhengxiang He, Katja J. Jarick, Connie Zhong, Gregory G. Putzel, Mai Hatazaki, JRI IBD Live Cell Bank Consortium, Ivo C. Lorenz, David Andrew, Paul Balderes, Christoph S. N. Klose, Sergio A. Lira  David Artis 

David Artis  WCM
Expression of the mono-ADP-ribosyltransferase
ART1 by tumor cells mediates immune resistance
in non–small cell lung cancer
Science Translational Medicine 35294260 Tommy White, Abdul Khan, Paul Balderes, Ivo Lorenz Brendan Stiles WCM (former
Soluble adenylyl cyclase inhibition prevents human sperm functions essential for fertilization Molecular Human Reproduction, Volume 27, Issue 9, September 2021 34463764 Melanie Balbach, Lubna Ghanem, Thomas Rossetti, Navpreet Kaur, Carla Ritagliati, Jacob Ferreira, Dario Krapf, Lis C Puga Molina, Celia Maria Santi, Jan Niklas Hansen,
Dagmar Wachten, Makoto Fushimi, Peter T Meinke, Jochen Buck, Lonny R Levin
Buck/ Levin WCM
Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10) ACS Medicinal Chemistry Letters 34413957 Makoto Fushimi, Efrat Finkin-Groner, Stacia Kargman, Mayako Michino, Michael A Foley, Michael Miller, Nigel J Liverton, David J Huggins, Peter T Meinke Levin/Buck WCM
Targeting allostery in the Dynein motor domain with small molecule inhibitors Cell Chemical Biology 34015309 Yasuhiro Hirata, Yoshiyuki Fukase Tarun Kapoor RU
Deglycase-activity oriented screening to identify DJ-1 inhibitors RSC Medicinal Chemistry 34355187 Efrat Finkin-Groner, Yoshiyuki Fukase, Shan Sun, Mayako Michino, David J. Huggins, Robert W. Myers Yael David MSK
Targeting eIF4A Dependent Translation of KRAS Signaling Molecules Cancer Res. 2021 Feb 25;canres.2929.2020 33632898 Mark Duggan, Yoshiyuki Fukase, Andrew W. Stamford, Peter T. Meinke Hans-Guido Wendel MSK
Whole cell active inhibitors of mycobacterial lipoamide dehydrogenase afford selectivity over the human enzyme through tight binding interactions ACS Infect Dis. 2021 Feb 12;7(2):435-444 33527832 Ginn, John; Sun, Shan; Michino, Mayako; Huggins, David; Liverton, Nigel; Imaeda, Toshihiro; Okamoto, Rei; Kuroita, Takanobu; Aso, Kazuyoshi; Stamford, Andrew; Foley, Michael; Meinke, Peter Nathan, Carl; Bryk, Ruslana WCM
Development of a highly selective Plasmodium falciparum proteasome inhibitor with anti-malaria activity in humanized mice Angew Chem Int Ed Engl. 2021 Apr 19;60(17):9279-9283 33433953 John Ginn, Mayako Michino, Akinori Toita, Tzu-Tshin Wong, Toshihiro Imaeda, Ryoma Hara, Takafumi Yukawa, Kenjiro Sato, Kazuyoshi Aso, Peter Meinke Gang Lin, Carl Nathan, Laura Kirkman WCM
Recent Progress in Kappa and Mu Opioid Receptor Targeted Ligands Medicinal Chemistry Reviews, 2020 Volume 55 Chapter 4 Brian Reed, Michael Miller Mary Jeanne Kreek WCM
A Combination of Two Human Monoclonal Antibodies Limits Fetal Damage by Zika Virus in Macaques Proc Natl Acad Sci U S A. 2020 Apr 7;117(14):7981-7989 32209664 Van Rompay, K.; Coffey, L.; Kapoor, T.; Gazumyan, A.; Keesler, R.; Jurado, A.; Peace, A.; Agudelo, M.; Watanabe, J.; Usachenko, J.; Singapuri, A.; Immareddy, R.; Ardeshir, A.; Stuart, J.; Bournazos, S.; Ravetch, J.; Balderes, P.; Lorenz, I.; Esswein, S.; Keeffe, J.; Bjorkman, P.; Wang, Q.; Rice, C.; MacDonald, M.; Nussenzweig, M.; Robbiani, D. Michel Nussenzweig
Davide Robbiani
RU
Small-molecule inhibition of Lats kinases promotes Yap-dependent proliferation in post-mitotic mammalian tissues Nat Commun. 2021 May 25;12(1):3100. doi: 10.1038/s41467-021-23395-3. 34035288 Kastan, N.; Gnedeva, K.; Alisch, T.; Petelski, A.; Huggins, D.; Chiaravalli, J.; Aharanov, A.; Shakked, A.; Tzahor, E.; Nagiel, A.; Segil, N.; Hudspeth, J. James Hudspeth RU
Kinetic Analyses of the Siderophore Biosynthesis Inhibitor Salicyl-AMS and Analogues as MbtA Inhibitors and Antimycobacterial Agents Biochemistry 2019, 58, 6, 833-847 30582694 Bythrow, G.; Mohandas, P.; Guney, T.; Standke, L.; Germain, G.; Lu, X.; Ji, C.; Levendosky, K.; Sundaram Chavadi, S.; Tan, D.; Quadri, L. ACKNOWLEDGMENTS: Yasutomi Asano, Makoto Fushimi, Naoyoshi Noguchi, and Michael A. Foley Derek S. Tan MSK
Optimization of lead compounds into on-demand, non-hormonal contraceptives: leveraging a public-private drug discovery institute collaboration Biol Reprod. 2020 Aug 4;103(2):176-182. doi: 10.1093/biolre/ioaa052. 32307523 Balback, M.; Makoto, F.; Huggins, D.; Steegborn, C.; Meinke. P.; Levin, L.; Buck, J. Lonny Levin, Jochen Buck WCM
Antimalarial proteasome inhibitor reveals collateral sensitivity from intersubunit interactions and fitness cost of resistance Proc Natl Acad Sci U S A 115(29):E6863-E6870 29967165 Kirkman, L.; Zhan, W.; Visone, J.; Dziedziech, A.; Singh, P.; Fan, H.; Tong, X.; Bruzual, I.; Hara, R.; Kawasaki, M.; Imaeda, T.; Okamoto, R.; Sato, K.; Michino, M.; Fernandez-Alvaro, E.; Guiang, L.; Sanz, L.; Mota, D.; Govindasamy, K.; Wang, R.; Ling, Y.; Tumwebaze, P.; Sukenick, G.; Shi, L.; Vendome, J.; Bhanot, P.; Rosenthal, P.; Aso, K.; Foley, M.; Cooper, R.; Kafsack, B.; Doggett, J.; Nathan, C.; Lin, G. Gang Lin WCM
Selective Phenylimidazole-based Inhibitors of the Mycobacterium tuberculosis Proteasome J Med Chem 62(20):9246-9253 31560200 Zhan, W.; Hsu, H.; Morgan, T.; Ouellette, T.; Burns-Huang, K.; Hara, R.; Wright, A.; Imaeda, T.; Okamoto, R.; Sato, K.; Michino, M.; Ramjee, M.; Aso, K.; Menke, P.; Foley, M.; Nathan, C.; Li, H.; Lin, G. Gang Lin WCM
Inhibition of 3-Phosphoglycerate Dehydrogenase (PHGDH) by Indole Amides Abrogates de novo Serine Synthesis in Cancer Cells Bioorg Med Chem Lett. 2019 Sep 1;29(17):2503-2510 31327531 Mullarky, E.; Xu, J.; Robin, A.; Huggins, D.; Jennings, A.; Noguchi, N.; Olland, A.; Lakshinarasimhan, D.; Miller, M.; Tomita, D.; Michino, M.; Su, T.; Zhang, G.; Stamford, A.; Meinke, P.; Kargman, S.; Cantley, L. Lewis Cantley WCM
ALTHEA Gold Libraries™: Antibody libraries for therapeutic antibody discovery MAbs. 2019 Apr;11(3):516-531 30663541 Valadon, P.; Perez-Tapia, S.; Nelson, R.; Guzman-Bringas, O.; Arrieta-Oliva, H.; Gomez-Castellano, K.; Pohl, M.; Almagro, J. Mary Ann Pohl TDI
Improvement of asparagine ethylenediamines as anti-malarial Plasmodium-selective proteasome inhibitors J Med Chem 62(13):6137-6145 31177777 Zhan, W.; Visone, J.; Ouellette, T.; Harris, J.; Wang, R.; Zhang, H.; Singh, P.; Ginn, J.; Sukenick, G.; Wong, T; Okoro, J.; Scales, R.; Tumwebaze, P.; Rosenthal, P.; Kafsack, B.; Cooper, R.; Meinke, P.; Kirkman, L.; Lin, G. Gang Lin WCM
A Robust Method for the Purification and Characterization of Recombinant Human Histone H1 Variants Biochemistry. 58(3):171-176 30585724 Osunsade, A.; Prescott, N.; Herbert, J.; Ray, D.; Jmeian, Y.; Lorenz, I.; David, Y David, Yael MSK
Signaling Properties of Structurally Diverse Kappa Opioid Receptor Ligands: Toward in Vitro Models of in Vivo Responses ACS Chemical Neuroscience 31313902 Dunn, A.; Reed, B.; Erazo, J.; Ben-Ezra, A.; Kreek, M. Acknowledgement- Mike Miller Kreek RU
Novel Pure αVβ3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations ACS Pharmacol Transl Sci. 2019 Aug 2;2(6):387-401 32259072 Li, J.; Fukase, Y.; Yi, S.; Zou, W.; Munoz-Feliz, J.; Buitrago, L.; van Agthoven, J.; Zhang, Y.; Hara, R.; Tanaka, Y.; Okamoto, R.; Yasui, T.; Nakahata, T.; Imaeda, T.; Aso, K.; Zhou, Y.; Locuson, C.; Nesic, D.; Duggan, M.; Takagi, J.; Vaughan, R.; Walz, T.; Hodivala-Dilke, K.; Teitelbaum, S.; Arnaout, M.; Filizola, M.; Foley, M.; Coller, B. Barry Coller RU
Chemical structure-guided design of dynapyrazoles, cell-permeable dynein inhibitors with a unique mode of action Elife. 2017 May 19 28524820 Steinman , J.; Santarossa, C.;Miller, R.; Yu, L.; Serpinskaya, A.; Furukawa, H.; Morimoto, S.; Tanaka, Y.; Nishitani, M.; Asano, M.; Zalyte, R.; Ondrus, A.; Johnson, A.; Ye, F.; Nachury, M.; Fukase, Y.; Aso, K.; Foley, M.; Gelfand, V.; Chen, J.; Carter, A.; Kapoor, T. Tarun Kapoor RU
Development of human cGAS-specific small molecule inhibitors for repression of dsDNA-triggered interferon expression Nat Commun. 2019 May 21;10(1):2261 31113940 Lama, L.; Adura, C.; Xie, W.; Tomita, D.; Kamei, T.; Kuryavyi, V.; Gogakos, T.; Steinberg, J.; Miller, M.; Ramos-Espiritu, L.; Asano, Y.; Hashizume, S.; Aida, J.; Imaeda, T.; Okamoto, R.; Jennings, A.;Michino, M.; Kuroita, T.; Stamford, A.; Gao, P.; Meinke, P.; Glickman, J.; Patel, D.; Tuschl, T. Thomas Tuschl RU
Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation. Proc Natl Acad Sci USA. 2019 Jun 11;116(24):11946-11955 31142647 Xie, W.; Lama, L.; Adura, C.; Tomita, D.; Glickman, F.; Tuschl, T.; Patel, D. Thomas Tuschl RU
Aminopyrimidine Class Aggregation Inhibitor Effectively Blocks Aβ-Fibrinogen Interaction and Aβ-Induced Contact System Activation. Biochemistry. 2018 Feb 27; 57(8): 1399–1409 29394041 Singh PK, Kawasaki M, Berk-Rauch HE, Nishida G, Yamasaki T, Foley MA, Norris EH, Strickland S, Aso K, Ahn HJ. Sid Strckland RU
Long-range intramolecular allostery and regulation in the dynein-like AAA protein Mdn1 Proc Natl Acad Sci U S A. 2020 Aug 4; 117(31): 18459–18469. 32694211 Keith J. Mickolajczyk Paul Dominic B. Olinares, Yiming Niu, Nan Chen, Sara E. Warrington,Yusuke Sasaki, Thomas Walz, Brian T. Chait, Tarun M. Kapoor Tarun M. Kapoor RU
Lead Optimization of Small Molecule ENL YEATS Inhibitors to Enable In Vivo Studies: Discovery of TDI-11055
ACS Med. Chem. Lett. 2024, 15, 4, 524–532
Publication Date:March 12, 2024
 
  • Mayako Michino* ,  Tanweer A. Khan* ,  Michael W. Miller ,  Yoshiyuki Fukase ,  Jeremie Vendome ,  Carolina Adura ,  J. Fraser Glickman ,  Yiman Liu ,  Liling Wan , C. David Allis ,  Andrew W. Stamford ,  Peter T. Meinke ,  Louis M. Renzetti ,  Stacia Kargman ,  Nigel J. Liverton , and  David J. Huggin
C. David Allis RU
Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J Med Chem. 2021 May 13;64(9):6262-6272
33949190 Zhang H, Hsu HC, Kahne SC, Hara R, Zhan W, Jiang X, Burns-Huang K, Ouellette T, Imaeda T, Okamoto R, Kawasaki M, Michino M, Wong TT, Toita A, Yukawa T, Moraca F, Vendome J, Saha P, Sato K, Aso K, Ginn J, Meinke PT, Foley M, Nathan CF, Darwin KH, Li H, Lin Gang Lin WCM
Neuropeptide regulation of non-redundant ILC2 responses at barrier surface
Nature. 2022 Nov;611(7937):787-793
36323781 Tsou AM, Yano H, Parkhurst CN, Mahlakõiv T, Chu C, Zhang W, He Z, Jarick KJ, Zhong C, Putzel GG, Hatazaki M; JRI IBD Live Cell Bank Consortium; Lorenz IC, Andrew D, Balderes P, Klose CSN, Lira SA, Artis D. David Artis WCM
Computational Fluorine Scanning Using Free-Energy Perturbation
J. Chem. Inf. Model. 2019, 59, 6, 2776–2784
Publication Date:May 2, 2019
 
  Alexander D. Wade, Andrea Rizzi, Yuanqing Wang, and David J. Huggins David J. Huggins TDI
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method
J. Chem. Theory Comput. 2019, 15, 11, 6504–6512
Publication Date:October 4, 2019

  Alexander D. Wade and David J. Huggins David J. Huggins TDI

Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method
J. Chem. Inf. Model. 2020, 60, 11, 5580–5594
Publication Date:August 18, 2020

  Alexander D. Wade and David J. Huggins David J. Huggins TDI
Structural analysis of experimental drugs binding to the SARS-CoV-2 targetTMPR2
J Mol Graph Model. 2020 Nov; 100: 107710
  • 32829149
David J. Huggins David J. Huggins TDI
Gram-scale preparation of the antibiotic lead compound salicyl-AMS, a potent inhibitor of bacterial salicylate adenylation enzymes
Methods Enzymol. 2020;638:69-87
32416922 Kinarivala N, Standke LC, Guney T, Ji C, Noguchi N, Asano Y, Tan D Derek Tan MSK
Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice
Nat Commun. 2017 Sep 29;8(1):750.
28963528 Vincent J, Adura C, Gao P, Luz A, Lama L, Asano Y, Okamoto R, Imaeda T, Aida J, Rothamel K, Gogakos T, Steinberg J, Reasoner S, Aso K, Tuschl T, Patel DJ, Glickman JF, Ascano M. Thomas Tuschl RU
Publisher Correction: Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun. 2017 Nov 23;8(1):1827.
29170402 Vincent J, Adura C, Gao P, Luz A, Lama L, Asano Y, Okamoto R, Imaeda T, Aida J, Rothamel K, Gogakos T, Steinberg J, Reasoner S, Aso K, Tuschl T, Patel DJ, Glickman JF, Ascano M. Thomas Tuschl RU
On-demand male contraception via acute inhibition of soluble adenylyl cyclase.
Nat Commun. 2023 Feb 14;14(1):637.
36788210 Balbach M, Rossetti T, Ferreira J, Ghanem L, Ritagliati C, Myers RW, Huggins DJ, Steegborn C, Miranda IC, Meinke PT, Buck J, Levin LR. Lonny Levin/ Jocken Buck WCM
Structure-Activity Relationship Studies of Antimalarial Plasmodium Proteasome Inhibitors─Part II
J Med Chem. 2023 Jan 26;66(2):1484-1508
33630286 Zhang H, Ginn J, Zhan W, Leung A, Liu YJ, Toita A, Okamoto R, Wong TT, Imaeda T, Hara R, Michino M, Yukawa T, Chelebieva S, Tumwebaze PK, Vendome J, Beuming T, Sato K, Aso K, Rosenthal PJ, Cooper RA, Liverton N, Foley M, Meinke PT, Nathan CF, Kirkman LA, Lin G.  Gang Lin WCM

Pan-sarbecovirus prophylaxis with human anti-ACE2 monoclonal antibodies.

Nat Microbiol. 2023 Jun;8(6):1051-1063.
37188812 Zhang F, Jenkins J, de Carvalho RVH, Nakandakari-Higa S, Chen T, Abernathy ME, Baharani VA, Nyakatura EK, Andrew D, Lebedeva IV, Lorenz IC, Hoffmann HH, Rice CM, Victora GD, Barnes CO, Hatziioannou T, Bieniasz PD. Paul Bieniasz & Theodora Hatziioannou RU
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.
J Chem Inf Model. 2023 May 22;63(10):3171-3185.
37167486 Chen W, Cui D, Jerome SV, Michino M, Lenselink EB, Huggins DJ, Beautrait A, Vendome J, Abel R, Friesner RA, Wang L. Mayako Michino TDI
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors
ACS Bio Med Chem Au. 2023 Sep 8;3(6):507-515
38144256 Michino M, Beautrait A, Boyles NA, Nadupalli A, Dementiev A, Sun S, Ginn J, Baxt L, Suto R, Bryk R, Jerome SV, Huggins DJ, Vendome J. David Huggins TDI
Biochemical and structural analysis of the interaction between β-amyloid and fibrinogen.
Blood. 2016 Aug 25;128(8):1144-51.
27389717 Zamolodchikov D, Berk-Rauch HE, Oren DA, Stor DS, Singh PK, Kawasaki M, Aso K, Strickland S, Ahn HJ Sid Strikland RU
A Semisynthetic Kanglemycin Shows In Vivo Efficacy against High-Burden Rifampicin Resistant Pathogens.
ACS Infect Dis. 2020 Sep 11;6(9):2431-2440.
32786275 Peek J, Xu J, Wang H, Suryavanshi S, Zimmerman M, Russo R, Park S, Perlin DS, Brady SF. Sean Brady RU
Using a Function-First "Scout Fragment"-Based Approach to Develop Allosteric Covalent Inhibitors of Conformationally Dynamic Helicase Mechanoenzymes.
J Am Chem Soc. 2024 Jan 10;146(1):62-67.
38134034 Ramsey JR, Shelton PMM, Heiss TK, Olinares PDB, Vostal LE, Soileau H, Grasso M, Casebeer SW, Adaniya S, Miller M, Sun S, Huggins DJ, Myers RW, Chait BT, Vinogradova EV, Kapoor TM. Tarun Kapoor RU

 

ANNUAL REPORTS2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 PUBLICATIONSTitleJournal InformationPMIDAuthorsPIPI InstituteA combination of two human monoclonal