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

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1PJ9	Bacillus circulans strain 251 loop mutant 183-195 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, CALCIUM ION, ... 著者 Rozeboom, H.J, Dijkstra, B.W. 登録日 2003-06-02 公開日 2004-02-03 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Improved thermostability of bacillus circulans cyclodextrin glycosyltransferase by the introduction of a salt bridge PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
1NL6	Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor 分子名称: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K 著者 Smith, W.W, Janson, C.A, Zhao, B. 登録日 2003-01-06 公開日 2003-01-14 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Azepanone-based inhibitors of human and rat cathepsin K J.Med.Chem., 44, 2001
1NFU	CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 分子名称: 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ... 著者 Maignan, S, Guilloteau, J.P. 登録日 2002-12-16 公開日 2003-02-25 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J.Med.Chem., 46, 2003
1NFY	CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095 分子名称: 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ... 著者 Maignan, S, Guilloteau, J.P. 登録日 2002-12-16 公開日 2003-02-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J.Med.Chem., 46, 2003
5FFY	Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand 分子名称: 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin 著者 Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. 登録日 2015-12-19 公開日 2015-12-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand To Be Published
6GK6	Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid 分子名称: Cytochrome P450 CYP267B1 protein, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2018-05-18 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1. Biochem. J., 475, 2018
5EYK	CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325 分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A 著者 Bader, G, Zoephel, A. 登録日 2015-11-25 公開日 2016-08-17 最終更新日 2016-10-19 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
5FZN	Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. 分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide 著者 Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. 登録日 2016-03-15 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
1DYM	Humicola insolens Endocellulase Cel7B (EG 1) E197A Mutant 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I 著者 Davies, G.J, Moraz, O, Driguez, H, Schulein, M. 登録日 2000-02-03 公開日 2000-02-04 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate. Biochem.J., 335 ( Pt 2), 1998
1O9M	The Complex of a novel antibiotic with the Aminoacyl Site of the Bacterial Ribosome Revealed by X-Ray Crystallography. 分子名称: 1-(AMINOETHYL)AMINO-4-AMINOBUTANE, 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 4-AMINO-2-HYDROXYBUTANOIC ACID, ... 著者 Russell, R, Murray, J.B. 登録日 2002-12-17 公開日 2003-03-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The Complex of a Designer Antibiotic with a Model Aminoacyl Site of the 30S Ribosomal Subunit Revealed by X-Ray Crystallography J.Am.Chem.Soc., 125, 2003
1O50	Crystal structure of a cbs domain-containing protein (tm0935) from thermotoga maritima at 1.87 A resolution 分子名称: CBS domain-containing predicted protein TM0935 著者 Joint Center for Structural Genomics (JCSG) 登録日 2003-07-31 公開日 2003-08-12 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystal structure of a tandem cystathionine-beta-synthase (CBS) domain protein (TM0935) from Thermotoga maritima at 1.87 A resolution Proteins, 57, 2004
1NR6	MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC 分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Wester, M.R, Johnson, E.F, Stout, C.D. 登録日 2003-01-23 公開日 2003-08-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding Biochemistry, 42, 2003
1O5H	Crystal structure of formiminotetrahydrofolate cyclodeaminase (TM1560) from Thermotoga maritima at 2.80 A resolution 分子名称: Formiminotetrahydrofolate cyclodeaminase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2003-09-17 公開日 2003-09-30 最終更新日 2023-01-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of a formiminotetrahydrofolate cyclodeaminase (TM1560) from Thermotoga maritima at 2.80 A resolution reveals a new fold Proteins, 58, 2005
6HOQ	Human protein kinase CK2 alpha in complex with ferulic acid 分子名称: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Casein kinase II subunit alpha, ... 著者 Battistutta, R, Lolli, G. 登録日 2018-09-18 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 Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
1O0X	Crystal structure of Methionine aminopeptidase (TM1478) from Thermotoga maritima at 1.90 A resolution 分子名称: Methionine aminopeptidase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2002-09-13 公開日 2002-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a methionine aminopeptidase (TM1478) from Thermotoga maritima at 1.9 A resolution. Proteins, 56, 2004
1O59	Crystal structure of Allantoicase (yir029w) from Saccharomyces cerevisiae at 2.40 A resolution 分子名称: Allantoicase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2003-08-22 公開日 2003-09-02 最終更新日 2023-01-25 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of an allantoicase (YIR029W) from Saccharomyces cerevisiae at 2.4 A resolution Proteins, 56, 2004
1PQ9	HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX 分子名称: 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL, Oxysterols receptor LXR-beta, benzenesulfonic acid 著者 Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. 登録日 2003-06-18 公開日 2003-09-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
6GNT	Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand 分子名称: 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... 著者 Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. 登録日 2018-05-31 公開日 2018-09-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
6HX5	Selenols: a new class of Carbonic Anhydrase inhibitors 分子名称: Carbonic anhydrase 2, ZINC ION, benzeneselenol 著者 Angeli, A, Ferraroni, M. 登録日 2018-10-16 公開日 2018-12-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Selenols: a new class of carbonic anhydrase inhibitors. Chem. Commun. (Camb.), 55, 2019
6H9X	Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine 分子名称: 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CALCIUM ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2018-08-06 公開日 2019-05-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Acylated sulfonamide adenosines as potent inhibitors of the adenylate-forming enzyme superfamily. Eur.J.Med.Chem., 174, 2019
6HN0	Complex of Ovine Serum Albumin with diclofenac 分子名称: (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... 著者 Talaj, J.A, Bujacz, A, Bujacz, G. 登録日 2018-09-13 公開日 2019-10-09 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Int J Mol Sci, 24, 2023
6HOR	Human protein kinase CK2 alpha in complex with feruloylmethane 分子名称: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... 著者 Battistutta, R, Lolli, G. 登録日 2018-09-18 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
6IEC	Structure of RVFV Gn and human monoclonal antibody R17 分子名称: NSmGnGc, R17 H chain, R17 L chain 著者 Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. 登録日 2018-09-13 公開日 2019-04-10 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
5FID	Crystal structure of the protein elicitor MoHrip2 from Magnaporthe oryzae 分子名称: Elicitor protein Hrip2 著者 Liu, M, Duan, L, Qiu, D, Liu, X. 登録日 2015-12-23 公開日 2016-12-07 実験手法 X-RAY DIFFRACTION (1.809 Å) 主引用文献 Crystal Structure Analysis and the Identification of Distinctive Functional Regions of the Protein Elicitor Mohrip2 Front Plant Sci, 7, 2016
6IEA	Structure of RVFV Gn and human monoclonal antibody R13 分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ... 著者 Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. 登録日 2018-09-13 公開日 2019-04-10 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019

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