PDB: 55616 件ウェブページステータス検索Chemie searchBIRD

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6IZQ	PRMT4 bound with a bicyclic compound 分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 著者 Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. 登録日 2018-12-20 公開日 2019-12-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.449 Å) 主引用文献 Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
4WVH	Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with a substrate peptide (pep1). 分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, substrate peptide (pep1) 著者 Young, P.G, Ting, Y.T, Baker, E.N. 登録日 2014-11-05 公開日 2015-09-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization. IUCrJ, 3, 2016
6M0B	Solution NMR structures of DNA minidumbbell formed by 5'-CTTG CGTG-3'. 分子名称: DNA (5'-D(*CP*TP*TP*GP*CP*GP*TP*G)-3'), SODIUM ION 著者 Ngai, C.K, Guo, P. 登録日 2020-02-21 公開日 2020-06-17 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 High-Resolution Structures of DNA Minidumbbells Comprising Type II Tetraloops with a Purine Minor Groove Residue. J.Phys.Chem.B, 124, 2020
6US2	MTH1 in complex with compound 5 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide 著者 Newby, Z.E.R, Lansdon, E.B. 登録日 2019-10-24 公開日 2020-04-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.80012655 Å) 主引用文献 Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
6USZ	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Vigers, G.P, Smith, D.J. 登録日 2019-10-28 公開日 2020-04-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
3R6R	Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution 分子名称: BERBERINE, DNA (22-mer), POTASSIUM ION 著者 Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. 登録日 2011-03-22 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1. Nucleic Acids Res., 41, 2013
6GZJ	Complex between the dynein light chain DYNLL1/DLC8 and the specific domain of large myelin-associated glycoprotein L-MAG 分子名称: CHLORIDE ION, Dynein light chain 1, cytoplasmic, ... 著者 Myllykoski, M, Kursula, P. 登録日 2018-07-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.977 Å) 主引用文献 High-affinity heterotetramer formation between the large myelin-associated glycoprotein and the dynein light chain DYNLL1. J. Neurochem., 147, 2018
4HX6	Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 分子名称: ACETATE ION, Oxidoreductase, SULFATE ION 著者 Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) 登録日 2012-11-09 公開日 2012-11-28 最終更新日 2016-12-07 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
3CUE	Crystal structure of a TRAPP subassembly activating the Rab Ypt1p 分子名称: GTP-binding protein YPT1, PALMITIC ACID, Transport protein particle 18 kDa subunit, ... 著者 Cai, Y, Reinisch, K.M. 登録日 2008-04-16 公開日 2008-07-08 最終更新日 2012-03-21 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 The structural basis for activation of the Rab Ypt1p by the TRAPP membrane-tethering complexes. Cell(Cambridge,Mass.), 133, 2008
6XJD	Two mouse cGAS catalytic domain binding to human assembled nucleosome 分子名称: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1, ... 著者 Xu, P, Li, P, Zhao, B. 登録日 2020-06-23 公開日 2020-09-16 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (6.8 Å) 主引用文献 The molecular basis of tight nuclear tethering and inactivation of cGAS. Nature, 587, 2020
4LI8	TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide 分子名称: 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... 著者 Kirby, C.A, Stams, T. 登録日 2013-07-02 公開日 2013-08-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.521 Å) 主引用文献 Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
6USU	Crystal structure of GluN1/GluN2A ligand-binding domain in complex with L689,560 and glutamate 分子名称: (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, GLUTAMIC ACID, Glutamate receptor ionotropic, ... 著者 Romero-Hernandez, A, Tajima, N, Chou, T, Furukawa, H. 登録日 2019-10-28 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.092 Å) 主引用文献 Structural Basis of Functional Transitions in Mammalian NMDA Receptors. Cell, 182, 2020
6GZL	Complex between the dynein light chain DYNLL1/DLC8 and a peptide from the large myelin-associated glycoprotein L-MAG 分子名称: CHLORIDE ION, Dynein light chain 1, cytoplasmic, ... 著者 Myllykoski, M, Kursula, P. 登録日 2018-07-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 High-affinity heterotetramer formation between the large myelin-associated glycoprotein and the dynein light chain DYNLL1. J. Neurochem., 147, 2018
5FWN	Imine Reductase from Amycolatopsis orientalis. Closed form in in complex with (R)- Methyltetrahydroisoquinoline 分子名称: (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline, IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Man, H, Aleku, G, Turner, N.J, Grogan, G. 登録日 2016-02-18 公開日 2016-06-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Stereoselectivity and Structural Characterization of an Imine Reductase (Ired) from Amycolatopsis Orientalis Acs Catalysis, 6, 2016
1BZS	CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909 分子名称: 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Schreuder, H, Brachvogel, V, Loenze, P. 登録日 1998-11-04 公開日 2000-05-31 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis. J.Med.Chem., 42, 1999
5J50	Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP 分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... 著者 Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. 登録日 2016-04-01 公開日 2017-02-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP To Be Published
6B8Z	Multiconformer model of WT PTP1B with BB3 at 273 K 分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2017-10-09 公開日 2018-06-20 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
8HAD	A novel dimer configuration of a diatom Get3 forming a tetrameric complex with its tail-anchored membrane cargo 分子名称: ATPase ASNA1 homolog 著者 Chang, H.Y, Ko, T.P. 登録日 2022-10-26 公開日 2024-05-15 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (3.81 Å) 主引用文献 A distinct dimer configuration of a diatom Get3 forming a tetrameric complex with its tail-anchored membrane cargo. Bmc Biol., 22, 2024
6USX	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer 分子名称: 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Vigers, G.P, Smith, D.J. 登録日 2019-10-28 公開日 2020-04-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
8HAC	A novel dimer configuration of a diatom Get3 forming a tetrameric complex with its tail-anchored membrane cargo 分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase ASNA1 homolog, MAGNESIUM ION 著者 Chang, H.Y, Ko, T.P. 登録日 2022-10-26 公開日 2024-05-15 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 A distinct dimer configuration of a diatom Get3 forming a tetrameric complex with its tail-anchored membrane cargo. Bmc Biol., 22, 2024
4XHI	Crystal structure of native Thosea asigna virus RNA-dependent RNA polymerase (RdRP) at 2.15 Angstrom resolution 分子名称: GLYCEROL, RNA-dependent RNA polymerase, SULFATE ION 著者 Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N. 登録日 2015-01-05 公開日 2015-11-04 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases. Plos Pathog., 11, 2015
3W55	The structure of ERK2 in complex with FR148083 分子名称: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 著者 Ohori, M, Kinoshita, T. 登録日 2013-01-21 公開日 2013-02-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Role of a cysteine residue in the active site of ERK and the MAPKK family Biochem.Biophys.Res.Commun., 353, 2007
6UT0	Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Vigers, G.P, Smith, D.J. 登録日 2019-10-29 公開日 2020-04-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
6B90	Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 著者 Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. 登録日 2017-10-09 公開日 2018-06-20 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
4I0T	Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide 分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Slade, M. 登録日 2012-11-19 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J.Med.Chem., 56, 2013

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