8HUW
 
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Wang, J, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
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8IG7
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8IG8
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8IG4
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8IGB
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8IG9
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8IGA
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4WKE
 | | Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10) | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ... | | 著者 | Durbin, J.D. | | 登録日 | 2014-10-02 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
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4WKI
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4WK7
 | | Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide) | | 分子名称: | 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ... | | 著者 | Durbin, J.D, Stout, S.L. | | 登録日 | 2014-10-01 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
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4CLC
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1BT7
 | | THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES | | 分子名称: | NS3 SERINE PROTEASE, ZINC ION | | 著者 | Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R. | | 登録日 | 1998-09-01 | | 公開日 | 1999-06-22 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-08 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | 著者 | Futterer, K, Batt, S.M, Besra, G.S. | | 登録日 | 2017-07-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8WZB
 | | RS head-neck monomer | | 分子名称: | DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ... | | 著者 | Meng, X, Cong, Y. | | 登録日 | 2023-11-01 | | 公開日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
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8X2U
 | | Radial spoke head-neck dimer | | 分子名称: | DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ... | | 著者 | Meng, X, Cong, Y. | | 登録日 | 2023-11-10 | | 公開日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | | 主引用文献 | Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 2024
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5K13
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2P59
 | | Crystal Structure of Hepatitis C Virus NS3.4A protease | | 分子名称: | (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide | | 著者 | Perni, R.B, Wei, Y. | | 登録日 | 2007-03-14 | | 公開日 | 2008-02-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
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8E7B
 | | Crystal structure of the p53 (Y107H) core domain monoclinic P form | | 分子名称: | Cellular tumor antigen p53, ZINC ION | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | | 登録日 | 2022-08-23 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
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8E7A
 | | Crystal structure of the p53 (Y107H) core domain orthorhombic P form | | 分子名称: | Cellular tumor antigen p53, ZINC ION | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | | 登録日 | 2022-08-23 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression.
Cancer Discov, 13, 2023
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1SO8
 | | Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)] | | 分子名称: | 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION | | 著者 | Lustbader, J.W, Cirilli, M, Wu, H. | | 登録日 | 2004-03-13 | | 公開日 | 2004-05-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease.
Science, 304, 2004
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5L0K
 | | Crystal Structure of Autotaxin and Compound PF-8380 | | 分子名称: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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5L0B
 | | Crystal Structure of Autotaxin and Compound 1 | | 分子名称: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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5L0E
 | | Crystal Structure of Autotaxin and Compound 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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