PDB: 16941 件ウェブページステータス検索Chemie searchBIRD

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7EAF	Crystal structure of SAM-I riboswitch with the Actinomyces-1 k-turn 分子名称: BARIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE, ... 著者 Huang, L, Lilley, D.M.J. 登録日 2021-03-07 公開日 2021-06-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules. Nucleic Acids Res., 49, 2021
1QU9	1.2 A CRYSTAL STRUCTURE OF YJGF GENE PRODUCT FROM E. COLI 分子名称: YJGF PROTEIN 著者 Volz, K. 登録日 1999-07-07 公開日 1999-12-01 最終更新日 2018-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 A test case for structure-based functional assignment: the 1.2 A crystal structure of the yjgF gene product from Escherichia coli Protein Sci., 8, 1999
6SO2	Fragment N13460a in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-28 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SPL	Fragment KCL615 in complex with MAP kinase p38-alpha 分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-09-01 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SO1	Fragment N13569a in complex with MAP kinase p38-alpha 分子名称: 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, MAGNESIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-28 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SOI	Fragment N13788a in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SOT	Fragment N11290a in complex with MAP kinase p38-alpha 分子名称: 1,2-ETHANEDIOL, 1-(4-methylphenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SP9	Fragment KCL802 in complex with MAP kinase p38-alpha 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-31 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SOU	Fragment N13565a in complex with MAP kinase p38-alpha 分子名称: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SO4	Fragment RZ132 in complex with MAP kinase p38-alpha 分子名称: (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6Y81	Fragment KCL_1088 in complex with MAP kinase p38-alpha 分子名称: (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6Y80	Fragment KCL_916 in complex with MAP kinase p38-alpha 分子名称: 1-(2-adamantylmethyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-02 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6Y7Y	Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha 分子名称: (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-02 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6Y7X	Fragment KCL_771 in complex with MAP kinase p38-alpha 分子名称: (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-02 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6YCW	Fragment KCL_K767 in complex with MAP kinase p38-alpha 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-19 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6Y7W	Fragment KCL_1337 in complex with MAP kinase p38-alpha 分子名称: (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-02 公開日 2020-03-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6YCU	Fragment KCL_K777 in complex with MAP kinase p38-alpha 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide, CALCIUM ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-19 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
3EGK	KNOBLE Inhibitor 分子名称: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... 著者 Baum, B, Heine, A, Klebe, G, Muenzel, M. 登録日 2008-09-10 公開日 2008-09-30 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding Angew.Chem.Int.Ed.Engl., 46, 2007
1LLH	ARE CARBOXY TERMINII OF HELICES CODED BY THE LOCAL SEQUENCE OR BY TERTIARY STRUCTURE CONTACTS 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme 著者 Sagermann, M, Martensson, L.-G, Baase, W.A, Matthews, B.W. 登録日 2002-04-28 公開日 2002-05-15 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A test of proposed rules for helix capping: Implications for protein design Protein Sci., 11, 2002
1OB3	Structure of P. falciparum PfPK5 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2003-01-24 公開日 2004-01-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1V0O	Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex 分子名称: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-31 公開日 2004-04-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1V0B	Crystal structure of the t198a mutant of pfpk5 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-26 公開日 2004-03-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1V0P	Structure of P. falciparum PfPK5-Purvalanol B ligand complex 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG, PURVALANOL B 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-04-01 公開日 2004-05-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
5MUM	Glycoside Hydrolase BACINT_00347 分子名称: 1,2-ETHANEDIOL, BACINT_00347, PENTAETHYLENE GLYCOL 著者 Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. 登録日 2017-01-13 公開日 2017-04-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FT3	Aedes aegypti GSTe2 分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE EPSILON 2 著者 Yunta, C. 登録日 2016-01-11 公開日 2017-02-22 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.431 Å) 主引用文献 A Simple Test for the Determination of Ddt on Sprayed Surfaces To be Published

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