PDB: 81877 resultsInfo pagesStatus searchChemie searchBIRD

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1N1T	Trypanosoma rangeli sialidase in complex with DANA at 1.6 A Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase Authors: Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. Deposit date: 2002-10-20 Release date: 2003-01-07 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: 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 Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase Authors: Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. Deposit date: 2002-10-21 Release date: 2003-01-07 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: SULFATE ION, Sialidase Authors: Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. Deposit date: 2002-10-20 Release date: 2003-01-07 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.64 Å) Cite: 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) Descriptor: 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, ... Authors: Barros-Alvarez, X, Hol, W.G.J. Deposit date: 2018-03-05 Release date: 2019-03-13 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 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 Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... Authors: Pantouris, G, Lolis, E. Deposit date: 2015-10-30 Release date: 2015-11-11 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74. Angew. Chem. Int. Ed. Engl., 2018
1N1Y	Trypanosoma rangeli sialidase in complex with sialic acid Descriptor: N-acetyl-alpha-neuraminic acid, Sialidase Authors: Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. Deposit date: 2002-10-21 Release date: 2003-01-07 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: 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 Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2014-01-23 Release date: 2014-02-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: 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 Descriptor: PHOSPHATE ION, Tyrosine specific protein phosphatase, putative Authors: Chou, S, Alber, T, Grundner, C. Deposit date: 2010-03-12 Release date: 2010-05-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.392 Å) Cite: 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 Descriptor: Beta-hexosaminidase 1, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide Authors: Vadlamani, G, Mark, B.L. Deposit date: 2013-09-18 Release date: 2013-10-30 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 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 Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... Authors: Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. Deposit date: 2023-02-16 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.81 Å) Cite: 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 Descriptor: 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, ... Authors: Duskova, J, Skalova, T, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Kolenko, P, Dohnalek, J. Deposit date: 2011-04-15 Release date: 2012-04-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale To be Published
4LR8	Phosphopentomutase S154A variant soaked with ribose 5-phosphate Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... Authors: Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. Deposit date: 2013-07-19 Release date: 2013-07-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
4DVH	Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase Descriptor: FE (III) ION, Superoxide dismutase Authors: Larrieux, N, Buschiazzo, A. Deposit date: 2012-02-23 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: 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 Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK Authors: Muckelbauer, J.K. Deposit date: 2016-05-06 Release date: 2016-08-31 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.97 Å) Cite: 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 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONYLSPERMIDINE, TRYPAREDOXIN II Authors: 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. Deposit date: 2001-02-27 Release date: 2001-03-14 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 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 Descriptor: (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, ... Authors: Mamo, M, Appleton, B.A. Deposit date: 2018-02-07 Release date: 2018-03-14 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.61 Å) Cite: 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 Descriptor: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK Authors: Mochalkin, I. Deposit date: 2018-12-03 Release date: 2019-02-06 Method: X-RAY DIFFRACTION (2.23 Å) Cite: 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) Descriptor: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ZINC ION Authors: Christie, M, Izaurralde, E, Weichenrieder, O. Deposit date: 2014-04-22 Release date: 2014-06-04 Last modified: 2014-07-16 Method: X-RAY DIFFRACTION (2.6 Å) Cite: 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 Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ... Authors: Mamo, M, Appleton, B.A. Deposit date: 2018-02-22 Release date: 2018-04-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: 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) Descriptor: 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Landi, G, Pozzi, C, Mangani, S. Deposit date: 2018-04-27 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.56 Å) Cite: 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) Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... Authors: Landi, G, Pozzi, C, Mangani, S. Deposit date: 2018-04-20 Release date: 2019-04-03 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.74 Å) Cite: 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) Descriptor: 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, ... Authors: Maskell, D.P, Pye, V.E, Cherepanov, P. Deposit date: 2016-12-09 Release date: 2017-08-02 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.77 Å) Cite: 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 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sensor-type histidine kinase prrB Authors: Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2005-02-07 Release date: 2005-07-12 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 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 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... Authors: Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K. Deposit date: 2004-05-26 Release date: 2005-05-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... Authors: Johnson, J.A, Pomerantz, W.C.K. Deposit date: 2019-11-02 Release date: 2020-01-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains. Acs Med.Chem.Lett., 10, 2019

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