1A46
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![BU of 1a46 by Molmil](/molmil-images/mine/1a46) | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | Descriptor: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-11 | Release date: | 1998-05-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1A5G
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![BU of 1a5g by Molmil](/molmil-images/mine/1a5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-16 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1B5G
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![BU of 1b5g by Molmil](/molmil-images/mine/1b5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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8VDJ
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![BU of 8vdj by Molmil](/molmil-images/mine/8vdj) | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235 | Descriptor: | 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION | Authors: | Cade, I.A, Rhodin, M.H.J. | Deposit date: | 2023-12-15 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo. Nat Commun, 15, 2024
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8D3G
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![BU of 8d3g by Molmil](/molmil-images/mine/8d3g) | |
8D3J
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![BU of 8d3j by Molmil](/molmil-images/mine/8d3j) | |
8D3O
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![BU of 8d3o by Molmil](/molmil-images/mine/8d3o) | |
8D3E
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![BU of 8d3e by Molmil](/molmil-images/mine/8d3e) | |
8D3I
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![BU of 8d3i by Molmil](/molmil-images/mine/8d3i) | |
8D3H
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![BU of 8d3h by Molmil](/molmil-images/mine/8d3h) | |
8D3K
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![BU of 8d3k by Molmil](/molmil-images/mine/8d3k) | |
8D3N
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![BU of 8d3n by Molmil](/molmil-images/mine/8d3n) | |
1FPC
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![BU of 1fpc by Molmil](/molmil-images/mine/1fpc) | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | Descriptor: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | Authors: | Tulinsky, A, Mathews, I.I. | Deposit date: | 1994-10-16 | Release date: | 1995-02-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Active-site mimetic inhibition of thrombin. Acta Crystallogr.,Sect.D, 51, 1995
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3HAT
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![BU of 3hat by Molmil](/molmil-images/mine/3hat) | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | Descriptor: | FPAM (FIBRINOPEPTIDE A MIMIC), Hirudin variant-2, Thrombin heavy chain, ... | Authors: | Tulinsky, A, Mathews, I.I. | Deposit date: | 1994-10-16 | Release date: | 1995-02-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Active-site mimetic inhibition of thrombin. Acta Crystallogr.,Sect.D, 51, 1995
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