PDB: 8717 件ウェブページステータス検索Chemie searchBIRD

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7G8R	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1270087714 分子名称: (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2023-06-22 公開日 2023-07-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 ARHGEF2 PanDDA analysis group deposition To Be Published
7G85	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z111529496 分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... 著者 Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2023-06-22 公開日 2023-07-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.735 Å) 主引用文献 ARHGEF2 PanDDA analysis group deposition To Be Published
5L2W	The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. 分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... 著者 Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. 登録日 2016-08-02 公開日 2016-08-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
3DHD	Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate 分子名称: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ... 著者 Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. 登録日 2008-06-17 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
5L2T	The X-ray co-crystal structure of human CDK6 and Ribociclib. 分子名称: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 著者 Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. 登録日 2016-08-02 公開日 2016-08-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
3DKL	Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ... 著者 Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. 登録日 2008-06-25 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3G33	Crystal structure of CDK4/cyclin D3 分子名称: CCND3 protein, Cell division protein kinase 4 著者 Takaki, T, Echalier, A, Brown, N.R, Hunt, T, Endicott, J.A, Noble, M.E.M. 登録日 2009-02-01 公開日 2009-03-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The structure of CDK4/cyclin D3 has implications for models of CDK activation. Proc.Natl.Acad.Sci.USA, 106, 2009
5FN5	Cryo-EM structure of gamma secretase in class 3 of the apo- state ensemble 分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ... 著者 Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W. 登録日 2015-11-10 公開日 2015-12-16 最終更新日 2019-09-11 実験手法 ELECTRON MICROSCOPY (4.3 Å) 主引用文献 Sampling the conformational space of the catalytic subunit of human gamma-secretase. Elife, 4, 2015
8VEW	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
8VEO	Crystal structure of PRMT5:MEP50 in complex with MTA 分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ... 著者 Whittington, D.A. 登録日 2023-12-20 公開日 2024-04-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers. J.Med.Chem., 67, 2024
3DGR	Crystal structure of human NAMPT complexed with ADP analogue 分子名称: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER 著者 Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. 登録日 2008-06-15 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3DHF	Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate 分子名称: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ... 著者 Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. 登録日 2008-06-17 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
3DKJ	Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase 著者 Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. 登録日 2008-06-25 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
8SMJ	Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAATGGGG) 分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 著者 Terrell, J.R, Poon, G.M.K. 登録日 2023-04-26 公開日 2023-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
5HI3	Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists 分子名称: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ... 著者 Liu, S. 登録日 2016-01-11 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists. Sci Rep, 6, 2016
5J9Q	Crystal structure of the NuA4 core complex 分子名称: Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... 著者 Chen, Z.C, Xu, P. 登録日 2016-04-11 公開日 2016-10-26 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
5JI5	Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum 分子名称: 1,2-ETHANEDIOL, BuphA.10154.a.B1, SODIUM ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-04-21 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum to be published
3DU8	Crystal structure of GSK-3 beta in complex with NMS-869553A 分子名称: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta 著者 Bossi, R.T. 登録日 2008-07-17 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J.Med.Chem., 52, 2009
5J9W	Crystal structure of the NuA4 core complex 分子名称: ACETYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ... 著者 Chen, Z.C, Xu, P. 登録日 2016-04-11 公開日 2016-10-26 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
5JCT	Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24 分子名称: DIMETHYL SULFOXIDE, FE (III) ION, GLYCEROL, ... 著者 Ali, S, van Montfort, R. 登録日 2016-04-15 公開日 2017-01-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen. J. Med. Chem., 60, 2017
5LX5	CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP. 分子名称: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate 著者 Bertrand, T, Marquette, J.P. 登録日 2016-09-20 公開日 2017-10-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP To Be Published
5K4J	Crystal Structure of CDK2 in complex with compound 22 分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 著者 Yin, J, Wang, W. 登録日 2016-05-20 公開日 2016-07-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
7G91	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509257513 分子名称: (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2023-06-22 公開日 2023-07-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.292 Å) 主引用文献 ARHGEF2 PanDDA analysis group deposition To Be Published
7G9A	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102113-001 分子名称: 3-acetamido-N-methylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2023-06-22 公開日 2023-07-12 実験手法 X-RAY DIFFRACTION (2.583 Å) 主引用文献 ARHGEF2 PanDDA analysis group deposition To Be Published
7G8A	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100642432 分子名称: 2-bromo-4-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2023-06-22 公開日 2023-07-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 ARHGEF2 PanDDA analysis group deposition To Be Published

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