PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

---

3UVQ	Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative 分子名称: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside 著者 Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. 登録日 2011-11-30 公開日 2012-12-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J.Med.Chem., 56, 2013
4TT2	Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide 分子名称: ATPase family AAA domain-containing protein 2, Histone H4K5Ac 著者 Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. 登録日 2014-06-19 公開日 2014-12-24 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
3PY3	Crystal structure of phosphorylated p38alpha MAP kinase 分子名称: Mitogen-activated protein kinase 14 著者 Zhang, Y.Y, Wu, J.W, Wang, Z.X. 登録日 2010-12-11 公開日 2011-03-16 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mitogen-activated Protein Kinase (MAPK) Phosphatase 3-mediated Cross-talk between MAPKs ERK2 and p38{alpha}. J.Biol.Chem., 286, 2011
1ZZL	Crystal structure of P38 with triazolopyridine 分子名称: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 著者 McClure, K.F, Han, S. 登録日 2005-06-14 公開日 2005-09-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
3FLW	P38 kinase crystal structure in complex with pamapimod 分子名称: 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FMJ	P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine 分子名称: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-22 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
6R3B	BACTERIOPHAGE SPP1 PROCAPSID-I PROTEIN 分子名称: Major capsid protein 著者 Ignatiou, A, Brasiles, S, El Sadek-Fadel, M, Buerger, J, Mielke, T, Topf, M, Tavares, P. 登録日 2019-03-19 公開日 2019-10-23 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Structural transitions during the scaffolding-driven assembly of a viral capsid. Nat Commun, 10, 2019
4JHT	Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) 分子名称: 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... 著者 Aik, W.S, McDonough, M.A, Schofield, C.J. 登録日 2013-03-05 公開日 2013-06-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation. Chem Sci, 4, 2013
3FL4	P38 kinase crystal structure in complex with RO5634 分子名称: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M. 登録日 2008-12-18 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
4TU6	Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation 分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION 著者 Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. 登録日 2014-06-23 公開日 2014-12-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
3FML	P38 kinase crystal structure in complex with RO6224 分子名称: 6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-22 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 P38 kinase crystal structure in complex with RO6224 To be Published
3FLS	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-2-((R)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLZ	P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
1I7G	CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 分子名称: (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA, ... 著者 Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. 登録日 2001-03-09 公開日 2002-03-09 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family. Structure, 9, 2001
6IFL	Cryo-EM structure of type III-A Csm-NTR complex 分子名称: NTR, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... 著者 You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. 登録日 2018-09-20 公開日 2018-12-12 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (3.16 Å) 主引用文献 Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference Cell, 176, 2019
3P5K	P38 inhibitor-bound 分子名称: 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H. 登録日 2010-10-08 公開日 2011-11-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
4TQN	Crystal structure of the bromodomain of human CREBBP in complex with UL04 分子名称: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein 著者 Dong, J, Caflisch, A. 登録日 2014-06-11 公開日 2015-06-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics. J.Med.Chem., 59, 2016
4TU4	Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid 分子名称: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... 著者 Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. 登録日 2014-06-23 公開日 2014-12-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
1I7I	CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 分子名称: (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA 著者 Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. 登録日 2001-03-09 公開日 2002-03-09 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family. Structure, 9, 2001
3O8T	Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding 分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
4JGV	Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN 分子名称: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. 登録日 2013-03-04 公開日 2013-12-18 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
4JL4	Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid] 分子名称: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D. 登録日 2013-03-12 公開日 2014-03-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation. J.Med.Chem., 61, 2018
3OCG	P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor 分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-08-10 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 5-Amino-pyrazoles as potent and selective p38α inhibitors Bioorg.Med.Chem.Lett., 20, 2010
6IS1	Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with BeF3 and Mg 分子名称: BERYLLIUM TRIFLUORIDE ION, IMIDAZOLE, MAGNESIUM ION, ... 著者 Wen, Y, Ouyang, Z. 登録日 2018-11-15 公開日 2019-10-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR. Nucleic Acids Res., 47, 2019
8B5R	p97-p37-SPI substrate complex 分子名称: I3 sequence being threaded through the p97 channel, Protein phosphatase 1 regulatory subunit 7, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit, ... 著者 van den Boom, J, Marini, G, Meyer, H, Saibil, H. 登録日 2022-09-24 公開日 2023-06-07 最終更新日 2024-07-24 実験手法 ELECTRON MICROSCOPY (6.1 Å) 主引用文献 Structural basis of ubiquitin-independent PP1 complex disassembly by p97. Embo J., 42, 2023

<1160116111621163116411651166116711681169117011711172117311741175>