PDB: 20505 件ウェブページステータス検索Chemie searchBIRD

---

6TX5	CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE 分子名称: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION 著者 Fiegen, D, Draxler, S.W. 登録日 2020-01-13 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
6TX6	CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE 分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ... 著者 Fiegen, D, Draxler, S.W. 登録日 2020-01-13 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
6TXX	CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 分子名称: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 著者 Fiegen, D, Draxler, S.W. 登録日 2020-01-14 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
4GJ9	Crystal structure of renin in complex with GP055321 (compound 4) 分子名称: (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2012-08-09 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
4GJA	Crystal structure of renin in complex with NVP-AYL747 (compound 5) 分子名称: (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2012-08-09 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
4GJC	Crystal structure of renin in complex with NVP-BCH965 (compound 9) 分子名称: (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2012-08-09 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
4GAM	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit 分子名称: FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... 著者 Lee, S.J, Lippard, S.J, Cho, U.-S. 登録日 2012-07-25 公開日 2013-02-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.902 Å) 主引用文献 Control of substrate access to the active site in methane monooxygenase. Nature, 494, 2013
4GJE	Crystal structure of the refolded amino-terminal domain of human cardiac troponin C in complex with cadmium 分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ... 著者 Zhang, X, Paetzel, M. 登録日 2012-08-09 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination. Acta Crystallogr.,Sect.D, 69, 2013
4FYI	Crystal structure of rcl with 6-cyclopentyl-AMP 分子名称: Deoxyribonucleoside 5'-monophosphate N-glycosidase, N-cyclopentyladenosine 5'-(dihydrogen phosphate) 著者 Labesse, G, Padilla, A, Kaminski, P.A. 登録日 2012-07-04 公開日 2013-01-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure of the oncoprotein Rcl bound to three nucleotide analogues. Acta Crystallogr.,Sect.D, 69, 2013
4FZJ	Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID 分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ... 著者 Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. 登録日 2012-07-06 公開日 2013-06-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
4G5F	Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID 分子名称: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ... 著者 Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. 登録日 2012-07-17 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
4GJF	Crystal structure of the amino-terminal domain of human cardiac troponin C mutant L29Q in complex with cadmium 分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ... 著者 Zhang, X, Paetzel, M. 登録日 2012-08-09 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination. Acta Crystallogr.,Sect.D, 69, 2013
4GJ8	Crystal structure of renin in complex with PKF909-724 (compound 3) 分子名称: (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2012-08-09 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
4GJG	Crystal structure of the amino-terminal domain of human cardiac troponin C mutant D2N/V28I/L29Q/G30D (NIQD) in complex with cadmium. 分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ... 著者 Zhang, X, Paetzel, M. 登録日 2012-08-09 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination. Acta Crystallogr.,Sect.D, 69, 2013
4GJD	Crystal structure of renin in complex with NVP-BGQ311 (compound 12) 分子名称: (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... 著者 Ostermann, N, Zink, F, Kroemer, M. 登録日 2012-08-09 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. J.Med.Chem., 56, 2013
4GR7	The human W42R Gamma D-Crystallin Mutant Structure at 1.7A Resolution 分子名称: Gamma-crystallin D, PHOSPHATE ION 著者 Ji, F, Jung, J, Koharudin, L.M.I, Gronenborn, A.M. 登録日 2012-08-24 公開日 2012-11-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The human W42R gamma D-crystallin mutant structure provides a link between congenital and age-related cataracts. J.Biol.Chem., 288, 2013
4GPL	Structure of Cbl(TKB) bound to a phosphorylated pentapeptide 分子名称: ACE-PTR-THR-PRO-GLU-PRO, PEPTIDE INHIBITOR, E3 ubiquitin-protein ligase CBL 著者 Borgstahl, G, Natarajan, A. 登録日 2012-08-21 公開日 2013-09-18 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The paradox of conformational constraint in the design of Cbl(TKB)-binding peptides. Sci Rep, 3, 2013
4GUM	Cystal structure of locked-trimer of human MIF 分子名称: CHLORIDE ION, Macrophage migration inhibitory factor 著者 Fan, C, Lolis, E. 登録日 2012-08-29 公開日 2013-07-03 最終更新日 2020-11-18 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 MIF intersubunit disulfide mutant antagonist supports activation of CD74 by endogenous MIF trimer at physiologic concentrations. Proc.Natl.Acad.Sci.USA, 110, 2013
4GWT	Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid 分子名称: (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 著者 Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. 登録日 2012-09-03 公開日 2013-10-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
6HD4	ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571) 分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide, CHLORIDE ION, ... 著者 Cowan-Jacob, S.W. 登録日 2018-08-17 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
6HD6	ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) 分子名称: 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... 著者 Cowan-Jacob, S.W. 登録日 2018-08-17 公開日 2018-09-12 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
7LUH	Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide 分子名称: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein 著者 Petit, G.A, Martin, J.L, McMahon, R.M. 登録日 2021-02-22 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA. Acta Crystallogr D Struct Biol, 78, 2022
7LUJ	Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide 分子名称: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein 著者 Petit, G.A, Martin, J.L, McMahon, R.M. 登録日 2021-02-22 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA. Acta Crystallogr D Struct Biol, 78, 2022
6IL7	Structure of Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) C503A mutant 分子名称: SULFATE ION, Thioredoxin reductase/glutathione-related protein 著者 Toh, Y.K, Shin, J, Balakrishna, A.M, Eisenhaber, F, Eisenhaber, B, Gruber, G. 登録日 2018-10-17 公開日 2019-05-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Effect of the additional cysteine 503 of vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) and the mechanism of AhpF and subunit C assembling. Free Radic. Biol. Med., 138, 2019
8COK	Structural analysis of ING3 protein and its binding to histone H3 分子名称: Inhibitor of growth protein 3 著者 Ferreras-Gutierrez, M, Medrano, F.J, Blanco, F.J. 登録日 2023-02-28 公開日 2023-05-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Structural analysis of ING3 protein and histone H3 binding. Int.J.Biol.Macromol., 242, 2023

<575576577578579580581582583584585586587588589590>