7KQD
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![BU of 7kqd by Molmil](/molmil-images/mine/7kqd) | Prefusion RSV F Bound to RV521 | 分子名称: | 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION | 著者 | McLellan, J.S. | 登録日 | 2020-11-14 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J.Med.Chem., 64, 2021
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8F2O
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![BU of 8f2o by Molmil](/molmil-images/mine/8f2o) | |
8ESU
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![BU of 8esu by Molmil](/molmil-images/mine/8esu) | Myoglobin variant Mb-imi complex | 分子名称: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Bacik, J.P, Fasan, R, Ando, N. | 登録日 | 2022-10-14 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Mechanistic manifold in a hemoprotein-catalyzed cyclopropanation reaction with diazoketone. Nat Commun, 14, 2023
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7MII
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![BU of 7mii by Molmil](/molmil-images/mine/7mii) | Human CTPS2 bound to inhibitor T35 | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIG
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![BU of 7mig by Molmil](/molmil-images/mine/7mig) | Human CTPS1 bound to inhibitor T35 | 分子名称: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | 著者 | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | 登録日 | 2021-04-16 | 公開日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZST
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![BU of 6zst by Molmil](/molmil-images/mine/6zst) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | 登録日 | 2020-07-16 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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1KGI
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![BU of 1kgi by Molmil](/molmil-images/mine/1kgi) | Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac) | 分子名称: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | 登録日 | 2001-11-27 | 公開日 | 2002-11-27 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution. Acta Biochim.Pol., 48, 2001
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7MS9
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![BU of 7ms9 by Molmil](/molmil-images/mine/7ms9) | |
7MS8
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![BU of 7ms8 by Molmil](/molmil-images/mine/7ms8) | |
7MM8
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![BU of 7mm8 by Molmil](/molmil-images/mine/7mm8) | Crystal structure of HCV NS3/4A protease in complex with NR02-08 | 分子名称: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM6
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![BU of 7mm6 by Molmil](/molmil-images/mine/7mm6) | |
7MMJ
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![BU of 7mmj by Molmil](/molmil-images/mine/7mmj) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-08 | 分子名称: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMF
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![BU of 7mmf by Molmil](/molmil-images/mine/7mmf) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-60 | 分子名称: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM5
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![BU of 7mm5 by Molmil](/molmil-images/mine/7mm5) | Crystal structure of HCV NS3/4A protease in complex with NR02-60 | 分子名称: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMG
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![BU of 7mmg by Molmil](/molmil-images/mine/7mmg) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-58 | 分子名称: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, ARGININE, NS3/4A protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMH
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![BU of 7mmh by Molmil](/molmil-images/mine/7mmh) | |
7MMK
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![BU of 7mmk by Molmil](/molmil-images/mine/7mmk) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-149 | 分子名称: | 1,2-ETHANEDIOL, 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM9
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![BU of 7mm9 by Molmil](/molmil-images/mine/7mm9) | Crystal structure of HCV NS3/4A protease in complex with NR01-149 | 分子名称: | 1,2-ETHANEDIOL, 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM3
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![BU of 7mm3 by Molmil](/molmil-images/mine/7mm3) | |
7MMB
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![BU of 7mmb by Molmil](/molmil-images/mine/7mmb) | |
7MMC
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![BU of 7mmc by Molmil](/molmil-images/mine/7mmc) | Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115 | 分子名称: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM4
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![BU of 7mm4 by Molmil](/molmil-images/mine/7mm4) | Crystal structure of HCV NS3/4A protease in complex with NR01-115 | 分子名称: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2021-04-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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1XTC
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![BU of 1xtc by Molmil](/molmil-images/mine/1xtc) | CHOLERA TOXIN | 分子名称: | CHOLERA TOXIN | 著者 | Zhang, R.-G, Westbrook, E. | 登録日 | 1996-01-10 | 公開日 | 1996-08-01 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The three-dimensional crystal structure of cholera toxin. J.Mol.Biol., 251, 1995
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7MMD
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![BU of 7mmd by Molmil](/molmil-images/mine/7mmd) | |
1Z1M
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![BU of 1z1m by Molmil](/molmil-images/mine/1z1m) | NMR structure of unliganded MDM2 | 分子名称: | Ubiquitin-protein ligase E3 Mdm2 | 著者 | Uhrinova, S, Uhrin, D, Powers, H, Watt, K, Zheleva, D, Fischer, P, McInnes, C, Barlow, P.N. | 登録日 | 2005-03-04 | 公開日 | 2005-06-28 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of Free MDM2 N-terminal Domain Reveals Conformational Adjustments that Accompany p53-binding J.Mol.Biol., 350, 2005
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