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6WDP
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BU of 6wdp by Molmil
Interleukin 12 receptor subunit beta-1
Descriptor: GLYCEROL, Interleukin-12 receptor subunit beta-1, SULFATE ION
Authors:Spangler, J.B, Thomas, C, Jude, K.M, Garcia, K.C.
Deposit date:2020-04-01
Release date:2021-02-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells.
Cell, 184, 2021
7A1I
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BU of 7a1i by Molmil
Crystal structure of the BILBO2/FPC4 complex
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BILBO1_N domain-containing protein, ...
Authors:Dong, G.
Deposit date:2020-08-13
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and functional studies of the first tripartite protein complex at the Trypanosoma brucei flagellar pocket collar.
Plos Pathog., 17, 2021
6ZPK
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BU of 6zpk by Molmil
Crystal structure of the unconventional kinetochore protein Trypanosoma brucei KKT4 BRCT domain
Descriptor: GLYCEROL, SULFATE ION, Trypanosoma brucei KKT4 463-645
Authors:Ludzia, P, Lowe, E.D, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein.
Structure, 29, 2021
8F4A
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BU of 8f4a by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine
Descriptor: 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-10
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4W
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BU of 8f4w by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine
Descriptor: 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-11
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F57
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BU of 8f57 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615
Descriptor: (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-12
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F55
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BU of 8f55 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614
Descriptor: (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-11
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4Z
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BU of 8f4z by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-11
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F58
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BU of 8f58 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616
Descriptor: (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-12
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F51
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BU of 8f51 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-11
Release date:2023-02-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8D1R
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BU of 8d1r by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520
Descriptor: 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-05-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8D25
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BU of 8d25 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530
Descriptor: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-05-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8D23
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BU of 8d23 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529
Descriptor: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
Authors:Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-05-27
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8QK4
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BU of 8qk4 by Molmil
Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
Descriptor: CHLORIDE ION, GLYCEROL, Polyketide synthase PksJ, ...
Authors:Pang, F, Alkhalaf, L.M, Jenner, M.
Deposit date:2023-09-14
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
To Be Published
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
Descriptor: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2020-02-26
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:6-phosphogluconolactonase from Trypanosoma cruzi
To be published
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
Descriptor: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2DJL
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BU of 2djl by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
Descriptor: COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
Deposit date:2006-04-04
Release date:2007-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate
To be Published
2E68
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BU of 2e68 by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, ...
Authors:Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
Deposit date:2006-12-26
Release date:2008-01-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate
To be Published
7Q1E
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BU of 7q1e by Molmil
CPAP:TUBULIN:IIH5 ALPHAREP COMPLEX
Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Campanacci, V, Gigant, b.
Deposit date:2021-10-19
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
6QIH
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BU of 6qih by Molmil
Pancreatic Bovine Trypsin with a boronic acid inhibitor
Descriptor: CALCIUM ION, Cationic trypsin, DI(HYDROXYETHYL)ETHER, ...
Authors:Santos-Silva, T, Correia, H.D.
Deposit date:2019-01-18
Release date:2020-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Pancreatic Bovine Trypsin with a boronic acid inhibitor
To Be Published
2E6F
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BU of 2e6f by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with oxonate
Descriptor: COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
Deposit date:2006-12-26
Release date:2008-01-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with oxonate
To be Published
2E6A
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BU of 2e6a by Molmil
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with orotate
Descriptor: COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K.
Deposit date:2006-12-26
Release date:2008-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with orotate
To be Published
6V9O
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BU of 6v9o by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 3-(phenylsulfonyl)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-12-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
To Be Published
3GUE
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BU of 3gue by Molmil
Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ...
Authors:Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-03-29
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
To be Published

238582

数据于2025-07-09公开中

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