PDB: 83343 resultsInfo pagesStatus searchChemie searchBIRD

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7GSJ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000543a Descriptor: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 Authors: Mehlman, T, Ginn, H.M, Keedy, D.A. Deposit date: 2024-01-03 Release date: 2024-01-24 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.77 Å) Cite: An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
5EA9	Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130 Descriptor: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ... Authors: Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. Deposit date: 2015-10-15 Release date: 2016-10-19 Last modified: 2020-02-19 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
3W1M	Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-bromoorotate Descriptor: 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A. Deposit date: 2012-11-16 Release date: 2013-11-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-bromoorotate To be Published
3W2M	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-183 Descriptor: 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-30 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-183. To be Published
5G2B	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 Descriptor: CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... Authors: Singh, A.K, Anthonyrajah, E.S, Brown, D.G. Deposit date: 2016-04-07 Release date: 2017-11-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
5G57	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 Descriptor: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... Authors: Singh, A.K, Brown, D.G. Deposit date: 2016-05-22 Release date: 2017-11-29 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
6TIM	THE ADAPTABILITY OF THE ACTIVE SITE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AS OBSERVED IN THE CRYSTAL STRUCTURES OF THREE DIFFERENT COMPLEXES Descriptor: SN-GLYCEROL-3-PHOSPHATE, TRIOSEPHOSPHATE ISOMERASE Authors: Noble, M.E.M, Wierenga, R.K, Hol, W.G.J. Deposit date: 1991-04-23 Release date: 1992-10-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes. Proteins, 10, 1991
1HPT	THREE-DIMENSIONAL STRUCTURE OF A RECOMBINANT VARIANT OF HUMAN PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) Descriptor: PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE) VARIANT 3 Authors: Hecht, H.J, Szardenings, M, Collins, J, Schomburg, D. Deposit date: 1992-03-27 Release date: 1993-10-31 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Three-dimensional structure of a recombinant variant of human pancreatic secretory trypsin inhibitor (Kazal type). J.Mol.Biol., 225, 1992
3W1A	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-halogenated orotate derivatives Descriptor: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-13 Release date: 2013-11-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-halogenated orotate derivatives To be Published
3W23	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131 Descriptor: 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-26 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131 To be Published
4E2B	High resolution crystal structure of the old yellow enzyme from Trypanosoma cruzi Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... Authors: Murakami, M.T, Rodrigues, N.C, Gava, L.M, Canduri, F, Oliva, G, Barbosa, L.R.S, Borgers, J.C. Deposit date: 2012-03-08 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.269 Å) Cite: High resolution crystal structure and in solution studies of the old yellow enzyme from Trypanosoma cruzi: Insights into oligomerization, enzyme dynamics and specificity To be Published
3W22	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125 Descriptor: 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-26 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-125 To be Published
3W1T	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095 Descriptor: 2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-21 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-095 To be Published
3W1U	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111 Descriptor: 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-21 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111 To be Published
3W2K	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165 Descriptor: 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-29 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-165 To be Published
3W2N	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-185 Descriptor: 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-12-03 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-185 To be Published
3W2L	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-169 Descriptor: 5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-29 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-169 To be Published
3W75	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149 Descriptor: 5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-02-27 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-149 To be Published
3W7J	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040 Descriptor: 5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-02-28 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-6-040 To be Published
3W2J	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-135 Descriptor: 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2012-11-28 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-135 To be Published
3W7M	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-063 Descriptor: 5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-03-02 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-063 To be Published
3W71	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097 Descriptor: 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-02-27 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-097 To be Published
3W7G	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-013 Descriptor: 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-02-28 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-013 To be Published
3W87	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103 Descriptor: 1,2-ETHANEDIOL, 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... Authors: Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-03-12 Release date: 2014-04-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103 To be Published
3W74	Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139 Descriptor: 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... Authors: Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. Deposit date: 2013-02-27 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139 To be Published

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