1BY8
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![BU of 1by8 by Molmil](/molmil-images/mine/1by8) | THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K | Descriptor: | PROTEIN (PROCATHEPSIN K) | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | Deposit date: | 1998-10-27 | Release date: | 1999-10-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of human procathepsin K. Biochemistry, 38, 1999
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1BP4
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![BU of 1bp4 by Molmil](/molmil-images/mine/1bp4) | USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | Deposit date: | 1998-08-12 | Release date: | 1999-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
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6MTO
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![BU of 6mto by Molmil](/molmil-images/mine/6mto) | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTR
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![BU of 6mtr by Molmil](/molmil-images/mine/6mtr) | Crystal structure of VRC43.01 Fab | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTP
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![BU of 6mtp by Molmil](/molmil-images/mine/6mtp) | Crystal structure of VRC42.04 Fab in complex with gp41 peptide | Descriptor: | Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.036 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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5V8V
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![BU of 5v8v by Molmil](/molmil-images/mine/5v8v) | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate | Authors: | Concha, N, Zhao, B. | Deposit date: | 2017-03-22 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg. Med. Chem. Lett., 27, 2017
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5VPM
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5VRP
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1HPS
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![BU of 1hps by Molmil](/molmil-images/mine/1hps) | RATIONAL DESIGN, SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS OF A HYDROXYETHYLENE-BASED HIV-1 PROTEASE INHIBITOR CONTAINING A HETEROCYCLIC P1'-P2' AMIDE BOND ISOSTERE | Descriptor: | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE, HIV-1 PROTEASE | Authors: | Abdel-Meguid, S, Zhao, B. | Deposit date: | 1994-05-24 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere. J.Med.Chem., 37, 1994
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1BQI
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![BU of 1bqi by Molmil](/molmil-images/mine/1bqi) | USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. | Descriptor: | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN | Authors: | Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. | Deposit date: | 1998-08-16 | Release date: | 1999-08-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
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8XB9
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![BU of 8xb9 by Molmil](/molmil-images/mine/8xb9) | The Crystal Structure of polo-box domain of PLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1 | Authors: | Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B. | Deposit date: | 2023-12-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of polo-box domain of PLK1 from Biortus To Be Published
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8XPG
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![BU of 8xpg by Molmil](/molmil-images/mine/8xpg) | The Crystal Structure of polo box domain of Plk4 from Biortus. | Descriptor: | SULFATE ION, Serine/threonine-protein kinase PLK4 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | Deposit date: | 2024-01-03 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of polo box domain of Plk4 from Biortus. To Be Published
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8YGX
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![BU of 8ygx by Molmil](/molmil-images/mine/8ygx) | |
8YHV
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8XOV
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![BU of 8xov by Molmil](/molmil-images/mine/8xov) | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | Deposit date: | 2024-01-02 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. To Be Published
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8XEY
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![BU of 8xey by Molmil](/molmil-images/mine/8xey) | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | Deposit date: | 2023-12-13 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus To Be Published
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6U28
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![BU of 6u28 by Molmil](/molmil-images/mine/6u28) | Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Cho, J.H, Zhao, B, Savage, N, Li, P. | Deposit date: | 2019-08-19 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses. Proc.Natl.Acad.Sci.USA, 117, 2020
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3I9N
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![BU of 3i9n by Molmil](/molmil-images/mine/3i9n) | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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3I9K
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![BU of 3i9k by Molmil](/molmil-images/mine/3i9k) | Crystal structure of ADP ribosyl cyclase complexed with substrate NAD | Descriptor: | ADP-ribosyl cyclase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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6UFX
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![BU of 6ufx by Molmil](/molmil-images/mine/6ufx) | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | Descriptor: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | Authors: | Rietz, T.A, Fesik, S.W, Zhao, B. | Deposit date: | 2019-09-25 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
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5WTH
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![BU of 5wth by Molmil](/molmil-images/mine/5wth) | Cryo-EM structure for Hepatitis A virus complexed with FAB | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-12 | Release date: | 2017-01-25 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WTF
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![BU of 5wtf by Molmil](/molmil-images/mine/5wtf) | Cryo-EM structure for Hepatitis A virus empty particle | Descriptor: | VP0, VP1, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6DF6
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![BU of 6df6 by Molmil](/molmil-images/mine/6df6) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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4O4S
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![BU of 4o4s by Molmil](/molmil-images/mine/4o4s) | Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB) | Descriptor: | PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT | Authors: | Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X. | Deposit date: | 2013-12-19 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of the Phycobiliprotein Lyase CpcT. J.Biol.Chem., 289, 2014
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4O4O
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![BU of 4o4o by Molmil](/molmil-images/mine/4o4o) | Crystal structure of phycobiliprotein lyase CpcT | Descriptor: | MAGNESIUM ION, Phycocyanobilin lyase CpcT | Authors: | Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X. | Deposit date: | 2013-12-19 | Release date: | 2014-08-06 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Mechanism of the Phycobiliprotein Lyase CpcT. J.Biol.Chem., 289, 2014
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