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5MQJ
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BU of 5mqj by Molmil
Crystal structure of dCK mutant C3S
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors:Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5MQL
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BU of 5mql by Molmil
Crystal structure of dCK mutant C3S in complex with masitinib and UDP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
Authors:Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5MQT
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BU of 5mqt by Molmil
Crystal structure of dCK mutant C3S in complex with imatinib and UDP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ...
Authors:Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
Deposit date:2016-12-20
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
5GMJ
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BU of 5gmj by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule B
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
5GMI
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BU of 5gmi by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus
Descriptor: Golgi reassembly-stacking protein 2, Junctional adhesion molecule C
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
7ZM1
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BU of 7zm1 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZJT
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BU of 7zjt by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution
Descriptor: 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-11
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM2
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BU of 7zm2 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM3
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BU of 7zm3 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, hexadecyl dihydrogen phosphate
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
7ZM4
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BU of 7zm4 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, undecyl dihydrogen phosphate
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023

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