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4USZ
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BU of 4usz by Molmil
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Descriptor: SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE
Authors:Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C.
Deposit date:2014-07-17
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
Appl.Environ.Microbiol., 80, 2014
5AA6
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BU of 5aa6 by Molmil
Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum
Descriptor: VANADATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 2
Authors:Radlow, M, Jeudy, A, Dabin, J, Delage, L, Leblanc, C, Hartung, J, Czjzek, M.
Deposit date:2015-07-23
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum
To be Published
4B0N
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BU of 4b0n by Molmil
Crystal structure of PKS-I from the brown algae Ectocarpus siliculosus
Descriptor: ARACHIDONIC ACID, MALONIC ACID, POLYKETIDE SYNTHASE III
Authors:Leroux, C, Meslet-Cladiere, L, Delage, L, Goulitquer, S, Leblanc, C, Ar Gall, E, Stiger-Pouvreau, V, Potin, P, Czjzek, M.
Deposit date:2012-07-03
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure/Function Analysis of a Type III Polyketide Synthase in the Brown Alga Ectocarpus Siliculosus Reveals a Biochemical Pathway in Phlorotannin Monomer Biosynthesis.
Plant Cell, 25, 2013
7ARP
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BU of 7arp by Molmil
Native L-2-haloacid dehalogenase from Zobellia galactanivorans
Descriptor: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
Authors:Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
Deposit date:2020-10-26
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
7ASZ
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BU of 7asz by Molmil
L-2-haloacid dehalogenase H190A mutant from Zobellia galactanivorans
Descriptor: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
Authors:Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
Deposit date:2020-10-28
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
7QNM
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BU of 7qnm by Molmil
Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans
Descriptor: (S)-2-haloacid dehalogenase, PHOSPHATE ION
Authors:Grigorian, E, Roret, T, Leblanc, C, Delage, L, Czjzek, M.
Deposit date:2021-12-21
Release date:2022-12-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 32, 2023
4CIT
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BU of 4cit by Molmil
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Descriptor: SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE
Authors:Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C.
Deposit date:2013-12-16
Release date:2014-10-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
Appl.Environ.Microbiol., 80, 2014
6YI8
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BU of 6yi8 by Molmil
HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Ostermann, N.
Deposit date:2020-04-01
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
7UX9
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BU of 7ux9 by Molmil
Arabidopsis DDM1 bound to nucleosome (H2A.W, H2B, H3.3, H4, with 147 bp DNA)
Descriptor: ATP-dependent DNA helicase DDM1, DNA (antisense strand), DNA (sense strand), ...
Authors:Ipsaro, J.J, Adams, D.W, Joshua-Tor, L.
Deposit date:2022-05-05
Release date:2023-08-09
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Chromatin remodeling of histone H3 variants by DDM1 underlies epigenetic inheritance of DNA methylation.
Cell, 186, 2023
7R0N
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BU of 7r0n by Molmil
KRasG12C in complex with GDP and compound 2
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0M
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BU of 7r0m by Molmil
KRasG12C in complex with GDP and JDQ443
Descriptor: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2022-06-15
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
7R0Q
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BU of 7r0q by Molmil
KRasG12C in complex with GDP and compound 3
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ostermann, N.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
5NWZ
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BU of 5nwz by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
Descriptor: Fibroblast growth factor receptor 4, ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide
Authors:Zou, C.
Deposit date:2017-05-09
Release date:2018-04-04
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
5NUD
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BU of 5nud by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
Descriptor: 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine, Fibroblast growth factor receptor 4
Authors:Zou, C.
Deposit date:2017-04-29
Release date:2018-04-04
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
8AQ5
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BU of 8aq5 by Molmil
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16
Descriptor: 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-08-11
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
8AQ7
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BU of 8aq7 by Molmil
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9
Descriptor: 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostermann, N.
Deposit date:2022-08-11
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
7T7T
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BU of 7t7t by Molmil
Structure of TSK/BRU1 bound to histone H3.1
Descriptor: Histone H3.1, Protein TONSOKU
Authors:Davarinejad, H, Couture, J.F.
Deposit date:2021-12-15
Release date:2022-03-30
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:The histone H3.1 variant regulates TONSOKU-mediated DNA repair during replication.
Science, 375, 2022
4O30
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BU of 4o30 by Molmil
Crystal structure of ATXR5 in complex with histone H3.1 and AdoHcy
Descriptor: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase ATXR6, ...
Authors:Bergamin, E, Mongeon, V, Couture, J.F.
Deposit date:2013-12-17
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective methylation of histone H3 variant H3.1 regulates heterochromatin replication.
Science, 343, 2014

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