PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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4RQK	Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1 分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Rettenmaier, T.J, Wells, J.A. 登録日 2014-11-03 公開日 2014-12-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. Proc.Natl.Acad.Sci.USA, 111, 2014
4RRN	8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors 分子名称: (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION 著者 Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. 登録日 2014-11-06 公開日 2014-12-03 最終更新日 2014-12-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
4RTU	Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant 分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... 著者 Camara-Artigas, A, Bacarizo, J. 登録日 2014-11-16 公開日 2015-10-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.453 Å) 主引用文献 Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant To be Published
4SDH	HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN 分子名称: HEMOGLOBIN I (DEOXY), PROTOPORPHYRIN IX CONTAINING FE 著者 Royerjunior, W.E. 登録日 1993-06-23 公開日 1993-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 High-resolution crystallographic analysis of a co-operative dimeric hemoglobin. J.Mol.Biol., 235, 1994
6OGP	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
6OGT	X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
4S31	Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A 分子名称: Mitogen-activated protein kinase 1 著者 Livnah, O, Karamansha, Y. 登録日 2015-01-26 公開日 2016-01-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Multiple mechanisms render Erk proteins MEK-independent To be Published
6ON5	Crystal Structure of the Zn-bound Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57H Mutant of Human Cellular Retinol Binding Protein II 分子名称: Retinol-binding protein 2, ZINC ION 著者 Ghanbarpour, A, Geiger, J. 登録日 2019-04-20 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.638 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
6ON8	Crystal Structure of the Reduced Form of Apo Domain-Swapped Dimer Q108K:T51D:A28C:L36C:F57H Mutant of Human Cellular Retinol Binding Protein II 分子名称: Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2019-04-20 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.395 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
6OHD	P38 in complex with T-3220137 分子名称: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 著者 Lane, W, Saikatendu, K. 登録日 2019-04-05 公開日 2019-11-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
6OO8	Dehaloperoxidase B in complex with substrate pentachlorophenol 分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ... 著者 Ghiladi, R.A, de Serrano, V.S, Malewschik, T. 登録日 2019-04-22 公開日 2020-04-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
6OOB	Human CYP3A4 bound to a suicide substrate 分子名称: 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2019-04-22 公開日 2019-09-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.202 Å) 主引用文献 Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
6OKO	Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide 分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3 著者 Pokross, M.E. 登録日 2019-04-14 公開日 2019-07-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage. Acs Med.Chem.Lett., 11, 2020
4RQL	Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene 分子名称: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B. 登録日 2014-11-03 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.105 Å) 主引用文献 Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison. Mol.Pharmacol., 87, 2015
6OPI	phosphorylated ERK2 with SCH-CPD336 分子名称: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 著者 Vigers, G.P, Smith, D. 登録日 2019-04-25 公開日 2019-07-31 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
4RRT	Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene 分子名称: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B. 登録日 2014-11-06 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison. Mol.Pharmacol., 87, 2015
6O5D	PYOCHELIN 分子名称: GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION 著者 Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-03-01 公開日 2019-09-11 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands. J Struct Biol X, 2, 2019
6O5X	Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2 分子名称: CHLORIDE ION, HIV-1 protease PR-S17, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, ... 著者 Agniswamy, J, Wang, Y.-F, Weber, I.T. 登録日 2019-03-04 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
4RUV	Crystal structure of thioredoxin 2 from Staphylococcus aureus NCTC8325 分子名称: Thioredoxin 著者 Bose, M, Biswas, R, Roychowdhury, A, Bhattacharyya, S, Ghosh, A.K, Das, A.K. 登録日 2014-11-22 公開日 2015-12-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight. Biochimie, 160, 2019
4TL0	Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation 分子名称: AMMONIUM ION, Death-associated protein kinase 1, GLYCEROL, ... 著者 Temmerman, K, Simon, B, Wilmanns, M. 登録日 2014-05-28 公開日 2015-06-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of death-associated protein kinase 1 with a crucial phosphomimicking mutation To Be Published
6OGQ	X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-003 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
6OEC	Yeast Spc42 Trimeric Coiled-Coil Amino Acids 181-211 fused to PDB: 3H5I 分子名称: CALCIUM ION, Response regulator/sensory box protein/GGDEF domain protein,Spindle pole body component SPC42 著者 Drennan, A.C, Shivaani, K, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jasperson, S.L, Rayment, I. 登録日 2019-03-27 公開日 2019-04-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.514 Å) 主引用文献 Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication. Mol.Biol.Cell, 30, 2019
4TSC	Structure of a lysozyme antibody complex 分子名称: FAb Heavy Chain, FAb Light Chain, Lysozyme C 著者 Wensley, B. 登録日 2014-06-18 公開日 2015-07-08 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure of a lysozyme antibody complex To Be Published
6OGL	X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-02 公開日 2020-04-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
6OGV	X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state 分子名称: Protease 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier To Be Published

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