PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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1OL1	Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 分子名称: CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-08-04 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OIY	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-26 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
1OI9	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-10 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
1OL2	Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 分子名称: ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-08-05 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OKW	Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 分子名称: ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-07-31 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OIQ	Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation 分子名称: CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE 著者 Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. 登録日 2003-06-24 公開日 2003-09-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
7TFP	Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. 分子名称: (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... 著者 Butrin, A, Zhu, W, Silverman, R, Liu, D. 登録日 2022-01-06 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
7TEV	Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate 分子名称: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial 著者 Butrin, A, Zhu, W, Silverman, R, Liu, D. 登録日 2022-01-05 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
7TED	Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate 分子名称: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... 著者 Butrin, A, Zhu, W, Silverman, R, Liu, D. 登録日 2022-01-04 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
7TA1	Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid 分子名称: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ... 著者 Butrin, A, Wawrzak, Z, Liu, D. 登録日 2021-12-20 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase. J.Biol.Chem., 298, 2022
7TA0	Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid 分子名称: 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, Ornithine aminotransferase, mitochondrial, ... 著者 Butrin, A, Liu, D. 登録日 2021-12-20 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase. J.Biol.Chem., 298, 2022
1PXJ	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine 分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 著者 Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. 登録日 2003-07-04 公開日 2003-12-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
1FJA	NMR STUDY OF DEOXYRIBONUCLEIC ACID COMPLEXED WITH ACTINOMYCIN D 分子名称: ACTINOMYCIN D, DNA (5'-D(*AP*AP*GP*CP*GP*CP*TP*T)-3') 著者 Chen, H, Liu, X, Patel, D.J. 登録日 1995-12-15 公開日 1996-06-10 最終更新日 2024-07-10 実験手法 SOLUTION NMR 主引用文献 DNA Bending and Unwinding Associated with Actinomycin D Antibiotics Bound to Partially Overlapping Sites on DNA. J.Mol.Biol., 258, 1996
5TBY	HUMAN BETA CARDIAC HEAVY MEROMYOSIN INTERACTING-HEADS MOTIF OBTAINED BY HOMOLOGY MODELING (USING SWISS-MODEL) OF HUMAN SEQUENCE FROM APHONOPELMA HOMOLOGY MODEL (PDB-3JBH), RIGIDLY FITTED TO HUMAN BETA-CARDIAC NEGATIVELY STAINED THICK FILAMENT 3D-RECONSTRUCTION (EMD-2240) 分子名称: Myosin light chain 3, Myosin regulatory light chain 2, ventricular/cardiac muscle isoform, ... 著者 ALAMO, L, WARE, J.S, PINTO, A, GILLILAN, R.E, SEIDMAN, J.G, SEIDMAN, C.E, PADRON, R. 登録日 2016-09-13 公開日 2017-06-07 最終更新日 2020-01-08 実験手法 ELECTRON MICROSCOPY (20 Å) 主引用文献 Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes. Elife, 6, 2017
1OKV	Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-07-30 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OGU	STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR 分子名称: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-05-13 公開日 2003-09-02 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2 Bioorg.Med.Chem.Lett., 13, 2003
1FBM	ASSEMBLY DOMAIN OF CARTILAGE OLIGOMERIC MATRIX PROTEIN IN COMPLEX WITH ALL-TRANS RETINOL 分子名称: PROTEIN (CARTILAGE OLIGOMERIC MATRIX PROTEIN), RETINOL 著者 Guo, Y, Bozic, D, Malashkevich, V.N, Kammerer, R.A, Schulthess, T. 登録日 2000-07-16 公開日 2000-08-02 最終更新日 2018-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 All-trans retinol, vitamin D and other hydrophobic compounds bind in the axial pore of the five-stranded coiled-coil domain of cartilage oligomeric matrix protein. EMBO J., 17, 1998
1PXL	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine 分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 著者 Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. 登録日 2003-07-04 公開日 2003-12-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
7RON	Crystal structure of the Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... 著者 Ruskoski, T.B, Boal, A.K. 登録日 2021-07-31 公開日 2022-03-23 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis. Elife, 11, 2022
7ROO	Crystal structure of Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme with bromide 分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... 著者 Ruskoski, T.B, Boal, A.K. 登録日 2021-07-31 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis. Elife, 11, 2022
1OKX	Binding Structure of Elastase Inhibitor Scyptolin A 分子名称: ELASTASE 1, SCYPTOLIN A 著者 Matern, U, Schleberger, C, Jelakovic, S, Weckesser, J, Schulz, G.E. 登録日 2003-07-31 公開日 2003-10-24 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Binding Structure of Elastase Inhibitor Scyptolin A Chem.Biol., 10, 2003
1PXK	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide 分子名称: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE 著者 Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. 登録日 2003-07-04 公開日 2003-12-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
1H1Q	Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 分子名称: 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. 登録日 2002-07-21 公開日 2002-09-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
1H26	CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 分子名称: CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2 著者 Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. 登録日 2002-07-31 公開日 2003-02-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A Biochemistry, 41, 2002
1H1S	Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE 著者 Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. 登録日 2002-07-21 公開日 2002-09-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002

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