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

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4OTF	Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 分子名称: N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK 著者 Hymowitz, S.G, Maurer, B. 登録日 2014-02-13 公開日 2015-01-28 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
3LPC	Crystal structure of a subtilisin-like protease 分子名称: ACETATE ION, AprB2, CALCIUM ION, ... 著者 Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. 登録日 2010-02-05 公開日 2010-12-08 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
6DV0	HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand 分子名称: CHLORIDE ION, GLYCEROL, Protease, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2018-06-22 公開日 2018-10-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160, 2018
3Q5H	Clinically Useful Alkyl Amine Renin Inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... 著者 Wu, Z, McKeever, B.M. 登録日 2010-12-28 公開日 2011-11-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett, 2, 2011
3LPA	Crystal structure of a subtilisin-like protease 分子名称: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION 著者 Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. 登録日 2010-02-05 公開日 2010-12-08 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
4Z9S	Non-covalent assembly of monoubiquitin that mimics K11 poly-ubiquitin 分子名称: MALONIC ACID, THIOCYANATE ION, Ubiquitin-40S ribosomal protein S27a 著者 Levin-Kravets, O, Prag, G. 登録日 2015-04-11 公開日 2015-07-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Tetrameric Assembly of Monoubiquitin Accurately Mimics the Lys11 Polyubiquitin Chain Structure. Biochemistry, 54, 2015
3EJW	Crystal Structure of the Sinorhizobium meliloti AI-2 receptor, SmLsrB 分子名称: (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, SmLsrB 著者 Miller, S.T, McAuley, J.R, Pereira, C, Xavier, K.B, Taga, M.E. 登録日 2008-09-18 公開日 2008-12-02 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Sinorhizobium meliloti, a bacterium lacking the autoinducer-2 (AI-2) synthase, responds to AI-2 supplied by other bacteria. Mol.Microbiol., 70, 2008
7MXJ	Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 1 分子名称: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases 著者 Lisa, M.N, Alzari, P.M. 登録日 2021-05-19 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG. Mbio, 12, 2021
7MXB	Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum in complex with AMP-PNP 分子名称: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases 著者 Lisa, M.N, Alzari, P.M. 登録日 2021-05-18 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG. Mbio, 12, 2021
7MXK	Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 2 分子名称: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases 著者 Lisa, M.N, Alzari, P.M. 登録日 2021-05-19 公開日 2021-10-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG. Mbio, 12, 2021
8CI8	Cryo-EM structure of the Nup98(298-327) fibril 分子名称: Nuclear pore complex protein Nup98 著者 Ibanez de Opakua, A, Cima-Omori, S, Dienemann, C, Zweckstetter, M. 登録日 2023-02-09 公開日 2024-02-21 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.67 Å) 主引用文献 Impact of distinct FG nucleoporin repeats on Nup98 self-association. Nat Commun, 15, 2024
4Q5V	Crystal structure of the catalytic core of human DNA polymerase alpha in ternary complex with an RNA-primed DNA template and aphidicolin 分子名称: (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol, DNA polymerase alpha catalytic subunit, DNA template, ... 著者 Baranovskiy, A.G, Babayeva, N.D, Suwa, Y, Gu, J, Tahirov, T.H. 登録日 2014-04-17 公開日 2014-11-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Structural basis for inhibition of DNA replication by aphidicolin. Nucleic Acids Res., 42, 2014
3LPD	Crystal structure of a subtilisin-like protease 分子名称: Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION 著者 Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. 登録日 2010-02-05 公開日 2010-12-08 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
3QLH	HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket 分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... 著者 Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. 登録日 2011-02-02 公開日 2011-12-21 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
3QRN	X-ray crystal structure of the ruthenium complex [Ru(tap)2(dppz)]2+ bound to d(TCGGCGCCGA)at high resolution 分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION, Ru(tap)2(dppz) complex 著者 Cardin, C.J, Hall, J.P. 登録日 2011-02-18 公開日 2011-10-19 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand. Proc.Natl.Acad.Sci.USA, 108, 2011
4KU3	Crystal Structure of C143S Xanthomonas Campestris OleA bound with myristic acid and myrisotoyl-CoA 分子名称: 3-oxoacyl-[ACP] synthase III, DI(HYDROXYETHYL)ETHER, MYRISTIC ACID, ... 著者 Goblirsch, B.R. 登録日 2013-05-21 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis. J.Biol.Chem., 291, 2016
5EJ6	EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate for 2 min 分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION 著者 Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. 登録日 2015-11-01 公開日 2016-06-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.243 Å) 主引用文献 A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
5EJ4	EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 15 min 分子名称: (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, ... 著者 Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. 登録日 2015-11-01 公開日 2016-06-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.773 Å) 主引用文献 A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis J.Am.Chem.Soc., 138, 2016
4PZQ	Crystal Structure of CCG DNA repeats 分子名称: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3') 著者 Chen, Y.W, Hou, M.H. 登録日 2014-03-31 公開日 2015-01-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structural basis for the identification of an i-motif tetraplex core with a parallel-duplex junction as a structural motif in CCG triplet repeats Angew.Chem.Int.Ed.Engl., 53, 2014
3R8A	X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity 分子名称: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma 著者 Ohren, J.F. 登録日 2011-03-23 公開日 2012-03-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma. J.Med.Chem., 54, 2011
6X8H	Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct 分子名称: Ac-DW3-KE, Caspase-8 著者 Solania, A, Xu, J.H, Wolan, D.W. 登録日 2020-06-01 公開日 2021-06-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct To Be Published
6X8J	Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct 分子名称: Caspase-7, ketomethylene inhibitor 著者 Solania, A, Xu, J.H, Wolan, D.W. 登録日 2020-06-01 公開日 2021-06-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.604 Å) 主引用文献 Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct To Be Published
6X8I	Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct 分子名称: Caspase-3, ketomethylene inhibitor 著者 Solania, A, Xu, J.H, Wolan, D.W. 登録日 2020-06-01 公開日 2021-06-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct To Be Published
4BV2	CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, CELLULAR TUMOR ANTIGEN P53, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-24 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
3Q4B	Clinically Useful Alkyl Amine Renin Inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... 著者 Wu, Z, McKeever, B.M. 登録日 2010-12-23 公開日 2011-11-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett, 2, 2011

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