PDB: 36939 件ウェブページステータス検索Chemie searchBIRD

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6F4U	Crystal structure of reactive loop cleaved kallistatin at 1.9 angstrom resolution 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Zhou, A, Wei, Z, Lin, F. 登録日 2017-11-30 公開日 2018-12-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of human Kallistatin To Be Published
6F5M	Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor 分子名称: 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ... 著者 Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K. 登録日 2017-12-01 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor. Acta Crystallogr F Struct Biol Commun, 74, 2018
7EV1	Crystal structure of LI-Cadherin EC1-2 分子名称: ACETATE ION, CALCIUM ION, Cadherin-17, ... 著者 Caaveiro, J.M.M, Yui, A, Tsumoto, K. 登録日 2021-05-19 公開日 2021-06-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Mechanism of dimerization and structural features of human LI-cadherin. J.Biol.Chem., 297, 2021
6F8A	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine 分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
4DGJ	Structure of a human enteropeptidase light chain variant 分子名称: Enteropeptidase catalytic light chain 著者 Zahn, M, Simeonov, P, Straeter, N. 登録日 2012-01-26 公開日 2012-04-18 最終更新日 2020-10-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a supercharged variant of the human enteropeptidase light chain. Proteins, 80, 2012
4DH6	Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide 分子名称: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... 著者 Sickmier, E.A. 登録日 2012-01-27 公開日 2012-04-18 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
3O89	Crystal Structure of Sperm Whale Myoglobin G65T 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Huang, X, Lovelace, L, Lebioda, L. 登録日 2010-08-02 公開日 2011-12-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Investigations of Structural Factors that Influence the Mechanism of Halophenol Dehalogenation using 'Peroxidase-Like' Myoglobin mutants and 'Myoglobin-Like' Amphitrite ornata Dehaloperoxidase Mutants TO BE PUBLISHED
7F0W	Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation 分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION 著者 Zhang, F. 登録日 2021-06-07 公開日 2021-06-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation To Be Published
7EYX	Crystal structure of Mg-free KRAS-G12D bound to GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas 著者 Fei, Z. 登録日 2021-06-01 公開日 2021-06-16 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Crystal structure of Mg-free KRAS-G12D bound to GDP To Be Published
4DQB	Crystal Structure of wild-type HIV-1 Protease in Complex with DRV 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... 著者 Schiffer, C.A, Mittal, S. 登録日 2012-02-15 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
6F85	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with histidine 分子名称: Cytochrome P450 CYP260A1, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
3O9H	Crystal Structure of wild-type HIV-1 Protease in complex with kd26 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, ACETATE ION, PHOSPHATE ION, ... 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2010-08-04 公開日 2011-08-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
4DSO	Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... 著者 Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. 登録日 2012-02-19 公開日 2012-04-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU	Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity 分子名称: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... 著者 Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. 登録日 2012-02-19 公開日 2012-04-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
4DWW	Crystal Structure of Nattokinase from Bacillus subtilis natto 分子名称: CALCIUM ION, Subtilisin NAT 著者 Chatake, T, Yanagisawa, Y. 登録日 2012-02-27 公開日 2012-03-14 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto Acta Crystallogr.,Sect.F, 66, 2010
3NU4	Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir 分子名称: CHLORIDE ION, SODIUM ION, protease, ... 著者 Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. 登録日 2010-07-06 公開日 2010-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
7F2F	The complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae. 分子名称: DNA (5'-D(*CP*AP*GP*AP*TP*CP*AP*TP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*AP*CP*AP*CP*AP*TP*GP*AP*TP*CP*T)-3'), Serine-rich protein TYE7 著者 Gui, W. 登録日 2021-06-10 公開日 2021-10-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Crystal structure of the complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae. Acta Crystallogr.,Sect.F, 77, 2021
4DY0	Crystal structure of native protease nexin-1 with heparin 分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, GLYCEROL, Glia-derived nexin, ... 著者 Huntington, J.A, Li, W. 登録日 2012-02-28 公開日 2012-08-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism. Blood, 120, 2012
4EJI	Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone 分子名称: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE 著者 DeVore, N.M, Scott, E.E. 登録日 2012-04-06 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes. J.Biol.Chem., 287, 2012
6F4I	Crystal structure of Drosophila melanogaster SNF 分子名称: U1 small nuclear ribonucleoprotein A 著者 Weber, G, Holton, N, Hall, K.B, DeKoster, G, Wahl, M.C. 登録日 2017-11-29 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Molecular principles underlying dual RNA specificity in the Drosophila SNF protein. Nat Commun, 9, 2018
3NXN	X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor 分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-14 公開日 2011-11-02 最終更新日 2019-07-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3NXU	Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir 分子名称: Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I.F, Poulos, T.L. 登録日 2010-07-14 公開日 2010-10-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir. Proc.Natl.Acad.Sci.USA, 107, 2010
3NYG	X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-15 公開日 2011-11-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3NUO	Crystal Structure of HIV-1 Protease Mutant L90M with Antiviral Drug Amprenavir 分子名称: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER 著者 Shen, C.H, Weber, I.T. 登録日 2010-07-07 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
3NWX	X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor 分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-12 公開日 2011-11-02 最終更新日 2019-07-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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