PDB: 81877 件ウェブページステータス検索Chemie searchBIRD

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1N1T	Trypanosoma rangeli sialidase in complex with DANA at 1.6 A 分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase 著者 Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. 登録日 2002-10-20 公開日 2003-01-07 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase J.Mol.Biol., 325, 2003
1N1V	Trypanosoma rangeli sialidase in complex with DANA 分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase 著者 Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. 登録日 2002-10-21 公開日 2003-01-07 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase J.Mol.Biol., 325, 2003
1N1S	Trypanosoma rangeli sialidase 分子名称: SULFATE ION, Sialidase 著者 Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. 登録日 2002-10-20 公開日 2003-01-07 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase J.Mol.Biol., 325, 2003
6CML	Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) 分子名称: 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... 著者 Barros-Alvarez, X, Hol, W.G.J. 登録日 2018-03-05 公開日 2019-03-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei Rsc Med Chem, 11, 2020
5EIZ	Crystal structure of Y99A mutant of human macrophage migration inhibitory factor 分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... 著者 Pantouris, G, Lolis, E. 登録日 2015-10-30 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74. Angew. Chem. Int. Ed. Engl., 2018
1N1Y	Trypanosoma rangeli sialidase in complex with sialic acid 分子名称: N-acetyl-alpha-neuraminic acid, Sialidase 著者 Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. 登録日 2002-10-21 公開日 2003-01-07 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase J.Mol.Biol., 325, 2003
4OL9	Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate 分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-01-23 公開日 2014-02-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate To be Published
3M4U	Crystal Structure of Trypanosoma brucei Protein Tyrosine Phosphatase TbPTP1 分子名称: PHOSPHATE ION, Tyrosine specific protein phosphatase, putative 著者 Chou, S, Alber, T, Grundner, C. 登録日 2010-03-12 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.392 Å) 主引用文献 The Trypanosoma brucei life cycle switch TbPTP1 is structurally conserved and dephosphorylates the nucleolar protein NOPP44/46. J.Biol.Chem., 285, 2010
4MSS	Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane 分子名称: Beta-hexosaminidase 1, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide 著者 Vadlamani, G, Mark, B.L. 登録日 2013-09-18 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams. Chem.Commun.(Camb.), 49, 2013
8G7H	Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxypropan-2-yl)phosphonic acid 分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... 著者 Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. 登録日 2023-02-16 公開日 2023-06-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
3RJ8	Crystal structure of carbohydrate oxidase from Microdochium nivale 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbohydrate oxidase, ... 著者 Duskova, J, Skalova, T, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Kolenko, P, Dohnalek, J. 登録日 2011-04-15 公開日 2012-04-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale To be Published
4LR8	Phosphopentomutase S154A variant soaked with ribose 5-phosphate 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... 著者 Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. 登録日 2013-07-19 公開日 2013-07-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
4DVH	Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase 分子名称: FE (III) ION, Superoxide dismutase 著者 Larrieux, N, Buschiazzo, A. 登録日 2012-02-23 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER. J.Biol.Chem., 289, 2014
5JRS	CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE 分子名称: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK 著者 Muckelbauer, J.K. 登録日 2016-05-06 公開日 2016-08-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177). J.Med.Chem., 59, 2016
1I5G	TRYPAREDOXIN II COMPLEXED WITH GLUTATHIONYLSPERMIDINE 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONYLSPERMIDINE, TRYPAREDOXIN II 著者 Hofmann, B, Budde, H, Bruns, K, Guerrero, S.A, Kalisz, H.M, Menge, U, Montemartini, M, Nogoceke, E, Steinert, P, Wissing, J.B, Flohe, L, Hecht, H.-J. 登録日 2001-02-27 公開日 2001-03-14 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structures of tryparedoxins revealing interaction with trypanothione. Biol.Chem., 382, 2001
6CCK	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile 分子名称: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6N9P	Discovery of affinity-based probes for Btk occupancy assay 分子名称: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK 著者 Mochalkin, I. 登録日 2018-12-03 公開日 2019-02-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Discovery of Affinity-Based Probes for Btk Occupancy Assays. ChemMedChem, 14, 2019
4CZW	Structure of the Neurospora crassa Pan2 catalytic unit (protease and nuclease domain) 分子名称: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ZINC ION 著者 Christie, M, Izaurralde, E, Weichenrieder, O. 登録日 2014-04-22 公開日 2014-06-04 最終更新日 2014-07-16 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay. Nat.Struct.Mol.Biol., 21, 2014
6CHP	Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate 分子名称: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-22 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
6GEY	Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125) 分子名称: 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Landi, G, Pozzi, C, Mangani, S. 登録日 2018-04-27 公開日 2019-04-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
6GD0	Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133) 分子名称: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... 著者 Landi, G, Pozzi, C, Mangani, S. 登録日 2018-04-20 公開日 2019-04-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
5MMB	Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) 分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... 著者 Maskell, D.P, Pye, V.E, Cherepanov, P. 登録日 2016-12-09 公開日 2017-08-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors. J. Med. Chem., 60, 2017
1YS3	Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sensor-type histidine kinase prrB 著者 Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2005-02-07 公開日 2005-07-12 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of ATP binding domain of Hidtidine Kinase from MTB To be Published
1VZT	ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... 著者 Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K. 登録日 2004-05-26 公開日 2005-05-26 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity. Biochemistry, 42, 2003
6UVJ	Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... 著者 Johnson, J.A, Pomerantz, W.C.K. 登録日 2019-11-02 公開日 2020-01-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains. Acs Med.Chem.Lett., 10, 2019

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