PDB: 56024 件ウェブページステータス検索Chemie searchBIRD

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6I6L	Papaver somniferum O-methyltransferase 1 分子名称: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydrocolumbamine 著者 Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. 登録日 2018-11-15 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Acs Catalysis, 2019
3P0H	Leishmania major Tyrosyl-tRNA synthetase in complex with fisetin, cubic crystal form 分子名称: 3,7,3',4'-TETRAHYDROXYFLAVONE, Tyrosyl-tRNA synthetase 著者 Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) 登録日 2010-09-28 公開日 2011-03-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer. J.Mol.Biol., 409, 2011
5UUI	Crystal Structure of Spin-Labeled T77C TNFa 分子名称: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor 著者 Horanyi, P.S, Dranow, D.M, Ceska, T. 登録日 2017-02-16 公開日 2017-08-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance. Biophys. J., 113, 2017
4LXD	Bcl_2-Navitoclax Analog (without Thiophenyl) Complex 分子名称: 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2 著者 Park, C.H. 登録日 2013-07-29 公開日 2013-08-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
4D30	Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin- 3-yl)propan-1-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.962 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
6I7V	Ribosomal protein paralogs bL31 and bL36 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... 著者 Pulk, A, Cate, J.H.D, Remme, J, Lilleorg, S, Reier, K, Peil, L, Liiv, A, Tammsalu, T. 登録日 2018-11-19 公開日 2018-12-05 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Bacterial ribosome heterogeneity: Changes in ribosomal protein composition during transition into stationary growth phase. Biochimie, 156, 2018
4D39	Structure of bovine endothelial nitric oxide synthase heme domain in complex with2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine 分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4CUU	Crystal structure of human BAZ2B in complex with fragment-6 N09645 分子名称: (2R)-1,2,3,4-tetrahydroquinoline-2,7-diol, 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B 著者 Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. 登録日 2014-03-21 公開日 2014-04-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Crystal Structure of Human Baz2B in Complex with Fragment-6 N09645 To be Published
4D83	Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment 分子名称: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 著者 Rondeau, J.M, Bourgier, E. 登録日 2012-01-10 公開日 2012-11-21 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
4D3A	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine 分子名称: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2.252 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
5UO1	Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 分子名称: 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
4PCI	Crystal Structure of the first bromodomain of BRD4 in complex with B16 分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 著者 Dong, J, Caflisch, A. 登録日 2014-04-15 公開日 2014-05-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
4CHZ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ... 著者 Peat, T.S. 登録日 2013-12-05 公開日 2013-12-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4D31	Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine 分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4CWX	ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE COMPLEX1 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-04-03 公開日 2014-08-13 最終更新日 2022-12-07 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
5UTP	Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to N-ethylbutyryl-PUGNAc 分子名称: Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide 著者 Vadlamani, G, Mark, B.L. 登録日 2017-02-15 公開日 2017-04-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance. Protein Sci., 26, 2017
5UWK	Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a 分子名称: (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid, CALCIUM ION, Collagenase 3, ... 著者 Taylor, A.B, Cao, X, Hart, P.J. 登録日 2017-02-21 公開日 2017-07-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors. J. Med. Chem., 60, 2017
6QC4	Ovine respiratory supercomplex I+III2 open class 3 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein, Cytochrome b, ... 著者 Letts, J.A, Sazanov, L.A. 登録日 2018-12-26 公開日 2019-08-21 最終更新日 2019-12-18 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
5UIN	X-ray structure of the W305A variant of the FdtF N-formyltransferase from salmonella enteric O60 分子名称: CHLORIDE ION, Formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ... 著者 Woodford, C.R, Thoden, J.B, Holden, H.M. 登録日 2017-01-14 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular architecture of an N-formyltransferase from Salmonella enterica O60. J. Struct. Biol., 200, 2017
5UNW	Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-((methylamino)methyl)benzonitrile 分子名称: 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.044 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
5UO8	Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
5UWM	Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a 分子名称: (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide, CALCIUM ION, Collagenase 3, ... 著者 Taylor, A.B, Cao, X, Hart, P.J. 登録日 2017-02-21 公開日 2017-07-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors. J. Med. Chem., 60, 2017
3JYR	Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. 分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Maltose-binding periplasmic protein 著者 Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. 登録日 2009-09-22 公開日 2010-02-16 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. J.Mol.Biol., 397, 2010
3OOM	Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 分子名称: 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... 著者 Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2010-08-31 公開日 2010-10-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 To be Published
6QC5	Ovine respiratory complex I FRC closed class 1 分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... 著者 Letts, J.A, Sazanov, L.A. 登録日 2018-12-26 公開日 2019-08-21 最終更新日 2019-10-02 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019

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