3INN
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6AI9
| Cab2 mutant-H337A complex with phosphopantothenate | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2 | Authors: | Zheng, P, Zhu, Z. | Deposit date: | 2018-08-22 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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6AIP
| Cab2 mutant-H337A complex with phosphopantothenoylcystine | Descriptor: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2 | Authors: | Zheng, P, Zhu, Z. | Deposit date: | 2018-08-24 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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2EJC
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2C21
| Specificity of the Trypanothione-dependednt Leishmania major Glyoxalase I: Structure and biochemical comparison with the human enzyme | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, ... | Authors: | Ariza, A, Vickers, T.J, Greig, N, Armour, K.A, Eggleston, I.M, Fairlamb, A.H, Bond, C.S. | Deposit date: | 2005-09-23 | Release date: | 2006-02-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity of the Trypanothione-Dependent Leishmania Major Glyoxalase I: Structure and Biochemical Comparison with the Human Enzyme. Mol.Microbiol., 59, 2006
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1FX4
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7TOT
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1FX2
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5YH7
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.0 A resolution | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-09-27 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii. Biochim Biophys Acta Proteins Proteom, 1867, 2019
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5RT4
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581 | Descriptor: | 3-(1H-benzimidazol-2-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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6TLI
| THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS) | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | Deposit date: | 1998-10-29 | Release date: | 2000-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol. Proteins, 37, 1999
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5RUM
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082 | Descriptor: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RTT
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 | Descriptor: | 3-(1-methyl-1H-indol-3-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUN
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 | Descriptor: | 3-(1H-benzimidazol-1-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RTI
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237 | Descriptor: | 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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1WXJ
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5XFV
| Crystal structures of FMN-bound form of dihydroorotate dehydrogenase from Trypanosoma brucei | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, MALONATE ION | Authors: | Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K. | Deposit date: | 2017-04-11 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei. FEBS Open Bio, 8, 2018
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6RSU
| TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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7AP1
| Klebsiella pneumoniae Seryl-tRNA synthetase in Complex with Compound SerS7HMDDA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine-tRNA ligase, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-10-15 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors. Molecules, 25, 2020
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6IX6
| Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution | Descriptor: | N-PROPANOL, Peptidyl-tRNA hydrolase | Authors: | Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | Deposit date: | 2018-12-09 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution To Be Published
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7ASK
| 43S preinitiation complex from Trypanosoma cruzi with the kDDX60 helicase bound with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, kDDX60 | Authors: | Bochler, A, Brito Querido, J, Prilepskaja, T, Soufari, H, Del Cistia, M.L, Kuhn, L, Rimoldi Ribeiro, A, Valasek, L.S, Hashem, Y. | Deposit date: | 2020-10-27 | Release date: | 2021-04-14 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts. Cell Rep, 33, 2020
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7ASE
| 43S preinitiation complex from Trypanosoma cruzi with the kDDX60 helicase | Descriptor: | 18S, 40S ribosomal protein S10, putative, ... | Authors: | Bochler, A, Brito Querido, J, Prilepskaja, T, Soufari, H, Del Cistia, M.L, Kuhn, L, Rimoldi Ribeiro, A, Valasek, L.S, Hashem, Y. | Deposit date: | 2020-10-27 | Release date: | 2021-04-14 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts. Cell Rep, 33, 2020
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6MXC
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1K3T
| Structure of Glycosomal Glyceraldehyde-3-Phosphate Dehydrogenase from Trypanosoma cruzi Complexed with Chalepin, a Coumarin Derivative Inhibitor | Descriptor: | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE, Glyceraldehyde-3-phosphate dehydrogenase | Authors: | Pavao, F. | Deposit date: | 2001-10-04 | Release date: | 2002-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase complexed with chalepin, a natural product inhibitor, at 1.95 A resolution. FEBS Lett., 520, 2002
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2C7V
| Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate | Descriptor: | ACETATE ION, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Dawson, A, Gibellini, F, Sienkiewicz, N, Fyfe, P.K, McLuskey, K, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2005-11-29 | Release date: | 2006-09-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Reactivity of Trypanosoma Brucei Pteridine Reductase: Inhibition by the Archetypal Antifolate Methotrexate Mol.Microbiol., 61, 2006
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