PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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3GI3	Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase 分子名称: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide 著者 Qian, K.C. 登録日 2009-03-05 公開日 2009-10-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
7MC9	X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA 分子名称: 3C-like proteinase, Ubiquitin, ZINC ION, ... 著者 Durie, I.A, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D. 登録日 2021-04-01 公開日 2021-07-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.099 Å) 主引用文献 Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin Acta Cryst. D, 77, 2021
7MLM	Crystal structure of mouse TLR4/MD-2 in complex with sulfatides 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Su, L, Beutler, B. 登録日 2021-04-28 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.104 Å) 主引用文献 Sulfatides are endogenous ligands for the TLR4-MD-2 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
7MLP	Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid 分子名称: 1,2-ETHANEDIOL, 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid, Ricin, ... 著者 Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. 登録日 2021-04-28 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
7MLN	Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid 分子名称: 5-(2-methylphenyl)thiophene-2-carboxylic acid, GLYCEROL, Ricin 著者 Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. 登録日 2021-04-28 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
7MLO	Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid 分子名称: 1,2-ETHANEDIOL, 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid, Ricin, ... 著者 Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. 登録日 2021-04-28 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
7MLT	Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid 分子名称: 1,2-ETHANEDIOL, 5-(2-ethylphenyl)thiophene-2-carboxylic acid, CHLORIDE ION, ... 著者 Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. 登録日 2021-04-29 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
3ES7	Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. 分子名称: (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase 著者 Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2008-10-04 公開日 2008-10-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
8W2L	TRPM7 structure in complex with anticancer agent CCT128930 in closed state 分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... 著者 Nadezhdin, K.D, Sobolevsky, A.I. 登録日 2024-02-20 公開日 2024-04-17 最終更新日 2024-04-24 実験手法 ELECTRON MICROSCOPY (2.45 Å) 主引用文献 Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930. Cell Rep, 43, 2024
8TWF	Crystal structure of tetracycline destructase Tet(56-3) 分子名称: 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE 著者 Kumar, H, Tang, W.K, Tolia, N. 登録日 2023-08-21 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Sequence-structure-function characterization of the emerging tetracycline destructase family of antibiotic resistance enzymes. Commun Biol, 7, 2024
5A76	KSHV LANA (ORF73) C-terminal domain, open non-ring conformation: orthorhombic crystal form 分子名称: MAGNESIUM ION, ORF 73 著者 Ponnusamy, R, Mcvey, C.E. 登録日 2015-07-02 公開日 2015-10-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.8 Å) 主引用文献 Kshv But not Mhv-68 Lana Induces a Strong Bend Upon Binding to Terminal Repeat Viral DNA. Nucleic Acids Res., 43, 2015
8TWG	Crystal structure of tetracycline destructase Tet(56-2) 分子名称: 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE 著者 Kumar, H, Tang, W.K, Tolia, N. 登録日 2023-08-21 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Sequence-structure-function characterization of the emerging tetracycline destructase family of antibiotic resistance enzymes. Commun Biol, 7, 2024
5AGR	Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP 分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... 著者 Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. 登録日 2015-02-03 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
5AA8	Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). 分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR 著者 McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. 登録日 2015-07-23 公開日 2016-06-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
5A0U	Structure of CutC choline lyase choline bound form from Klebsiella pneumoniae. 分子名称: CHOLINE ION, CHOLINE TRIMETHYLAMINE LYASE 著者 Kalnins, G, Tars, K. 登録日 2015-04-23 公開日 2015-07-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure and Function of Cutc Choline Lyase from Human Microbiota Bacterium Klebsiella Pneumoniaee J.Biol.Chem., 290, 2015
5A02	Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glycerol 分子名称: ALDOSE-ALDOSE OXIDOREDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Taberman, H, Rouvinen, J, Parkkinen, T. 登録日 2015-04-17 公開日 2015-10-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase. Biochem.J., 472, 2015
5AB6	Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with acetoacetyl-CoA. 分子名称: ACETOACETYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION 著者 Harijan, R.K, Kiema, T.R, Wierenga, R.K. 登録日 2015-08-01 公開日 2016-05-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism. Proteins, 84, 2016
5AF3	X-RAY CRYSTAL STRUCTURE OF RV2018 FROM MYCOBACTERIUM TUBERCULOSIS 分子名称: GLYCEROL, VAPBC49 著者 Holton, S.J, Wilmanns, M. 登録日 2015-01-18 公開日 2016-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Crystal Structure and DNA Binding Ability of Myco Tuberculosis Vapbc49 Anti-Toxin Protein Bacterium To be Published
5B2H	Crystal structure of HA33 from Clostridium botulinum serotype C strain Yoichi 分子名称: HA-33, TRIETHYLENE GLYCOL 著者 Akiyama, T, Hayashi, S, Matsumoto, T, Hasegawa, K, Yamano, A, Suzuki, T, Niwa, K, Watanabe, T, Sagane, Y, Yajima, S. 登録日 2016-01-15 公開日 2016-06-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Conformational divergence in the HA-33/HA-17 trimer of serotype C and D botulinum toxin complex Biochem.Biophys.Res.Commun., 476, 2016
5AOV	Ternary Crystal Structure of Pyrococcus furiosus Glyoxylate Hydroxypyruvate Reductase in presence of glyoxylate 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, GLYOXYLATE REDUCTASE, ... 著者 Lassalle, L, Girard, E. 登録日 2015-09-12 公開日 2016-03-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 New Insights Into the Mechanism of Substrates Trafficking in Glyoxylate/Hydroxypyruvate Reductases. Sci.Rep., 6, 2016
5BPA	X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate 分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ... 著者 Farrow, N.A, Margarit, S.M. 登録日 2015-05-27 公開日 2015-06-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J. Med. Chem., 54, 2011
5APK	Ligand complex of RORg LBD 分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2015-09-16 公開日 2015-11-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
5BSC	Crystal structure of K66A mutant of human macrophage migration inhibitory factor 分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor 著者 Pantouris, G, Lolis, E. 登録日 2015-06-01 公開日 2015-09-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 An Analysis of MIF Structural Features that Control Functional Activation of CD74. Chem.Biol., 22, 2015
5BSI	Crystal structure of Y36A mutant of human macrophage migration inhibitory factor 分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION 著者 Pantouris, G, Lolis, E. 登録日 2015-06-02 公開日 2015-09-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An Analysis of MIF Structural Features that Control Functional Activation of CD74. Chem.Biol., 22, 2015
5APH	Ligand complex of RORg LBD 分子名称: DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2015-09-16 公開日 2015-11-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016

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