PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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3T3C	Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) 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, BETA-MERCAPTOETHANOL, HIV-1 protease, ... 著者 Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. 登録日 2011-07-25 公開日 2012-06-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease. Antimicrob.Agents Chemother., 56, 2012
3EHS	Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) 分子名称: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, fusion protein of CRFR1 extracellular domain and MBP 著者 Pioszak, A.A, Xu, H.E. 登録日 2008-09-14 公開日 2008-09-30 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1. J.Biol.Chem., 283, 2008
3SV9	Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir 分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ... 著者 Schiffer, C.A, Romano, K.P. 登録日 2011-07-12 公開日 2012-09-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
2X8Z	Crystal structure of AnCE-captopril complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... 著者 Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. 登録日 2010-03-14 公開日 2010-06-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
2X3T	Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide 分子名称: 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... 著者 Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. 登録日 2010-01-26 公開日 2010-06-30 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.749 Å) 主引用文献 Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
6SIK	SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and univariate analysis 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Garcia-Bonete, M.J, Katona, G. 登録日 2019-08-10 公開日 2019-11-06 最終更新日 2019-11-13 実験手法 X-RAY DIFFRACTION (1.61007011 Å) 主引用文献 Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
6SGD	Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 分子名称: 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... 著者 Richards, M.W, Mas-Droux, C.P, Bayliss, R. 登録日 2019-08-04 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
2X94	Crystal structure of AnCE-perindoprilat complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... 著者 Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. 登録日 2010-03-14 公開日 2010-06-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
6SHI	Human kallikrein 7 with aromatic coumarinic ester compound 2 covalently bound to H57 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid, Kallikrein-7, ... 著者 Hanke, S, Straeter, N. 登録日 2019-08-06 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7. J.Med.Chem., 63, 2020
6SIL	SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and multivariate analysis of Friedel pairs 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Garcia-Bonete, M.J, Katona, G. 登録日 2019-08-10 公開日 2019-11-06 最終更新日 2019-11-13 実験手法 X-RAY DIFFRACTION (1.61018026 Å) 主引用文献 Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
3SYK	Crystal structure of the AAA+ protein CbbX, selenomethionine structure 分子名称: Protein CbbX, SULFATE ION 著者 Mueller-Cajar, O, Stotz, M, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M. 登録日 2011-07-18 公開日 2011-11-09 最終更新日 2019-11-20 実験手法 X-RAY DIFFRACTION (3.08 Å) 主引用文献 Structure and function of the AAA+ protein CbbX, a red-type Rubisco activase. Nature, 479, 2011
6J04	Crystal structure of full length human LC3B delta G120 mutant (2_125) 分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION 著者 Ding, Y, Lu, B.X, Wang, Z.Y. 登録日 2018-12-21 公開日 2019-11-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds Nature, 575, 2019
2X23	crystal structure of M. tuberculosis InhA inhibited by PT70 分子名称: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... 著者 Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. 登録日 2010-01-10 公開日 2010-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.807 Å) 主引用文献 A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis. J.Biol.Chem., 285, 2010
2X91	Crystal structure of AnCE-lisinopril complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... 著者 Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. 登録日 2010-03-14 公開日 2010-06-02 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
3ET0	Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid 分子名称: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose 著者 Zhang, K.Y.J, Wang, W. 登録日 2008-10-06 公開日 2009-02-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent Proc.Natl.Acad.Sci.USA, 106, 2009
3SVW	Crystal Structure of the P107V-MauG/pre-Methylamine Dehydrogenase Complex 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-07-12 公開日 2012-05-02 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Proline 107 is a major determinant in maintaining the structure of the distal pocket and reactivity of the high-spin heme of MauG. Biochemistry, 51, 2012
3SXT	Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, HEME C, ... 著者 Jensen, L.M.R, Wilmot, C.M. 登録日 2011-07-15 公開日 2012-07-25 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG To be Published
6J6M	Co-crystal structure of BTK kinase domain with Zanubrutinib 分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK 著者 Zhou, X, Hong, Y. 登録日 2019-01-15 公開日 2019-10-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
2V00	X-ray crystal structure of endothiapepsin complexed with compound 1 分子名称: 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ... 著者 Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A. 登録日 2007-05-03 公開日 2007-12-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation. J.Med.Chem., 50, 2007
3ET1	Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid 分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1 著者 Zhang, K.Y.J, Wang, W. 登録日 2008-10-06 公開日 2009-02-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent Proc.Natl.Acad.Sci.USA, 106, 2009
3RQJ	Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-Fluorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2011-04-28 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
3RCG	Human cyclophilin D complexed with dimethylformamide 分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Peptidyl-prolyl cis-trans isomerase F, ... 著者 Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. 登録日 2011-03-31 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
3E30	Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4 分子名称: FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... 著者 Hast, M.A, Beese, L.S. 登録日 2008-08-06 公開日 2009-03-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase. Chem.Biol., 16, 2009
3R5G	Crystal structure of the adenylyl cyclase CyaB from P. aeruginosa 分子名称: CyaB, GLYCEROL 著者 Topal, H, Steegborn, C. 登録日 2011-03-18 公開日 2012-01-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structure and Regulation Mechanisms of the CyaB Adenylyl Cyclase from the Human Pathogen Pseudomonas aeruginosa. J.Mol.Biol., 416, 2012
3R7O	Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-2461 analog 分子名称: Hepatocyte growth factor receptor, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide 著者 Soisson, S.M, Rickert, K, Patel, S.B, Munshi, S, Lumb, K.J. 登録日 2011-03-22 公開日 2012-02-01 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for selective small molecule kinase inhibition of activated c-Met. J.Biol.Chem., 286, 2011

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