PDB: 82554 resultsInfo pagesStatus searchChemie searchBIRD

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5EQC	Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... Authors: Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2015-11-12 Release date: 2016-02-24 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site To Be Published
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
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
3VST	The complex structure of XylC with Tris Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase Authors: Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. Deposit date: 2012-05-09 Release date: 2013-02-27 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.75 Å) Cite: The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Biochem.J., 448, 2012
5NAH	Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid Descriptor: 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase Authors: Rowland, P. Deposit date: 2017-02-27 Release date: 2017-06-21 Last modified: 2017-07-19 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
7U0R	Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A. Deposit date: 2022-02-18 Release date: 2023-06-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo. Nat.Chem., 15, 2023
5NAG	Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid Descriptor: 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase Authors: Rowland, P. Deposit date: 2017-02-27 Release date: 2017-06-21 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
5NAE	Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-2-oxo-6-[(1R)-1-(pyridin-2-yl)ethoxy]-2,3-dihydro-1,3-benzoxazol-3-yl}propanoic acid Descriptor: 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase Authors: Rowland, P. Deposit date: 2017-02-27 Release date: 2017-06-21 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
4YUZ	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine, Spermidine synthase, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
4YV1	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with quinolin-8-yl piperidine-1-carboxylate Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase Acta Crystallogr.,Sect.D, 71, 2015
4YUW	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with trans-4-methylcyclohexylamine Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
4YUX	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2H-1,4-benzothiazin-3-amine Descriptor: 2H-1,4-benzothiazin-3-amine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
2OCX	Crystal structure of Se-Met fucosyltransferase NodZ from Bradyrhizobium Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nodulation fucosyltransferase NodZ, PHOSPHATE ION Authors: Brzezinski, K, Stepkowski, T, Panjikar, S, Bujacz, G, Jaskolski, M. Deposit date: 2006-12-21 Release date: 2007-11-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: High-resolution structure of NodZ fucosyltransferase involved in the biosynthesis of the nodulation factor. Acta Biochim.Pol., 54, 2007
4YUV	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with decarboxylated S-adenosylmethionine Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, putative Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
4YV0	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid Descriptor: (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase Acta Crystallogr.,Sect.D, 71, 2015
4YUY	Crystal structure of Trypanosoma cruzi spermidine synthase in complex with isoquinolin-1-amine Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ISOQUINOLIN-1-AMINE, Spermidine synthase, ... Authors: Amano, Y, Tateishi, Y. Deposit date: 2015-03-19 Release date: 2015-09-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase. Acta Crystallogr.,Sect.D, 71, 2015
7DK1	Crystal structure of Zinc bound SARS-CoV-2 main protease Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, CHLORIDE ION, ... Authors: Sonkar, K.S, Panchariya, L, Kuila, S, Khan, W.A, Arockiasamy, A. Deposit date: 2020-11-22 Release date: 2021-06-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.902 Å) Cite: Zinc 2+ ion inhibits SARS-CoV-2 main protease and viral replication in vitro. Chem.Commun.(Camb.), 57, 2021
5K29	Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) Descriptor: UNKNOWN ATOM OR ION, uncharacterized protein BDF5 Authors: Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) Deposit date: 2016-05-18 Release date: 2016-07-13 Last modified: 2016-11-02 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
4N08	Structure of Trypanosoma brucei brucei adenosine kinase (apo) Descriptor: Adenosine kinase Authors: Timm, J, Wilson, K.S. Deposit date: 2013-10-01 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structures of adenosine kinase from Trypanosoma brucei brucei. Acta Crystallogr F Struct Biol Commun, 70, 2014
5K51	Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[5-(phosphonoheptyl]hypoxanthine Descriptor: 5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase Authors: Teran, D, Guddat, L. Deposit date: 2016-05-22 Release date: 2016-11-09 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.956 Å) Cite: Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase. Sci Rep, 6, 2016
1C72	TYR115, GLN165 AND TRP209 CONTRIBUTE TO THE 1,2-EPOXY-3-(P-NITROPHENOXY)PROPANE CONJUGATING ACTIVITIES OF GLUTATHIONE S-TRANSFERASE CGSTM1-1 Descriptor: 1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE, PROTEIN (GLUTATHIONE S-TRANSFERASE) Authors: Chern, M.K, Wu, T.C, Hsieh, C.H, Chou, C.C, Liu, L.F, Kuan, I.C, Yeh, Y.H, Hsiao, C.D, Tam, M.F. Deposit date: 2000-02-02 Release date: 2000-08-30 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Tyr115, gln165 and trp209 contribute to the 1, 2-epoxy-3-(p-nitrophenoxy)propane-conjugating activity of glutathione S-transferase cGSTM1-1. J.Mol.Biol., 300, 2000
7G8N	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981 Descriptor: 1-anilinocyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.32 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
7G83	ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 Descriptor: 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... Authors: Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. Deposit date: 2023-06-22 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.31 Å) Cite: ARHGEF2 PanDDA analysis group deposition To Be Published
4X0J	Trypanosoma brucei haptoglobin-haemoglobin receptor Descriptor: Haptoglobin-hemoglobin receptor Authors: Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K. Deposit date: 2014-11-21 Release date: 2014-12-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor. Elife, 3, 2014
7PCL	BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins Descriptor: (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... Authors: Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. Deposit date: 2021-08-03 Release date: 2022-08-10 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022

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