2FTD
 
 | | Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound | | 分子名称: | Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE | | 著者 | Yamashita, D.S, Baoguang, Z. | | 登録日 | 2006-01-24 | | 公開日 | 2007-01-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
J.Med.Chem., 49, 2006
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6UJH
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6UJL
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6UJJ
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6UHY
 | | WDR5 in complex with Myc site fragment inhibitor | | 分子名称: | 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 | | 著者 | Wang, F, Fesik, S.W. | | 登録日 | 2019-09-29 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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6UHZ
 | | WDR5 in complex with Myc site fragment inhibitor | | 分子名称: | 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5 | | 著者 | Wang, F, Fesik, S.w. | | 登録日 | 2019-09-29 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.258 Å) | | 主引用文献 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
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1TCX
 | | HIV TRIPLE MUTANT PROTEASE COMPLEXED WITH INHIBITOR SB203386 | | 分子名称: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV PROTEASE | | 著者 | Hoog, S.S, Abdel-Meguid, S.S. | | 登録日 | 1996-06-05 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity.
Biochemistry, 35, 1996
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1TCW
 | | SIV PROTEASE COMPLEXED WITH INHIBITOR SB203386 | | 分子名称: | (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, SIV PROTEASE | | 著者 | Hoog, S.S, Abdel-Meguid, S.S. | | 登録日 | 1996-06-05 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Human immunodeficiency virus protease ligand specificity conferred by residues outside of the active site cavity.
Biochemistry, 35, 1996
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8HPB
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8HQB
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5H7P
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3Q16
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5H7V
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6PCU
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9D9T
 | | Human norovirus GII.4 Sydney protease R112A mutant in complex with rupintrivir | | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, IODIDE ION, Peptidase C37 | | 著者 | Pham, S.H, Neetu, N, Sankaran, B, Prasad, B.V.V. | | 登録日 | 2024-08-21 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational flexibility is a critical factor in designing broad-spectrum human norovirus protease inhibitors.
J.Virol., 99, 2025
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9DAP
 | | Human norovirus GII.3 protease in complex with rupintrivir | | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Genome polyprotein | | 著者 | Pham, S.H, Neetu, N, Sankaran, B, Prasad, B.V.V. | | 登録日 | 2024-08-22 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Conformational flexibility is a critical factor in designing broad-spectrum human norovirus protease inhibitors.
J.Virol., 99, 2025
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9DAJ
 | | Human norovirus GII.4 Sydney protease in complex with rupintrivir | | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, IODIDE ION, Peptidase C37 | | 著者 | Pham, S.H, Neetu, N, Sankaran, B, Prasad, B.V.V. | | 登録日 | 2024-08-22 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformational flexibility is a critical factor in designing broad-spectrum human norovirus protease inhibitors.
J.Virol., 99, 2025
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9DF5
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9DEY
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9DAL
 | | Human norovirus GII.3 R112A mutant protease in complex with rupintrivir | | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Peptidase C37 | | 著者 | Pham, S.H, Neetu, N, Sankaran, B, Prasad, B.V.V. | | 登録日 | 2024-08-22 | | 公開日 | 2025-02-19 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Conformational flexibility is a critical factor in designing broad-spectrum human norovirus protease inhibitors.
J.Virol., 99, 2025
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4E99
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7JPY
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7JQ4
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7JQ3
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7JPZ
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1 | | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase | | 著者 | Yang, K, Liu, W. | | 登録日 | 2020-08-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
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