1OJ4
 
 | | Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | | Authors: | Miallau, L, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2003-06-30 | | Release date: | 2003-07-31 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Biosynthesis of Isoprenoids: Crystal Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase
Proc.Natl.Acad.Sci.USA, 100, 2003
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3OEI
 | | Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | | Descriptor: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2010-08-12 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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2JG1
 | | STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE with cofactor and substrate | | Descriptor: | 6-O-phosphono-beta-D-tagatofuranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Miallau, L, Hunter, W.N, McSweeney, S.M, Leonard, G.A. | | Deposit date: | 2007-02-07 | | Release date: | 2007-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Staphylococcus Aureus D-Tagatose-6-Phosphate Kinase Implicate Domain Motions in Specificity and Mechanism.
J.Biol.Chem., 282, 2007
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2JGV
 | | STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TAGATOSE-6-PHOSPHATE KINASE | | Authors: | Miallau, L, Hunter, W.N, McSweeney, S.M, Leonard, G.A. | | Deposit date: | 2007-02-16 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Staphylococcus Aureus D-Tagatose-6-Phosphate Kinase Implicate Domain Motions in Specificity and Mechanism.
J.Biol.Chem., 282, 2007
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3DBO
 | | Crystal structure of a member of the VapBC family of toxin-antitoxin systems, VapBC-5, from Mycobacterium tuberculosis | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ... | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-06-02 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure and Proposed Activity of a Member of the VapBC Family of Toxin-Antitoxin Systems: VapBC-5 FROM MYCOBACTERIUM TUBERCULOSIS.
J.Biol.Chem., 284, 2009
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3G5O
 | | The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-14 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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8QEL
 | | PKR kinase domain- eIF2alpha in complex with compound | | Descriptor: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide, Eukaryotic translation initiation factor 2 subunit alpha, Interferon-induced, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2023-08-31 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | PKR kinase domain- eIF2alpha in complex with compound
To Be Published
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7OTS
 | | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside | | Descriptor: | GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ... | | Authors: | Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
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8ASN
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8AXZ
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid. | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-01 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.154 Å) | | Cite: | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.
To Be Published
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8B2J
 | | Crystal structure of human STING in complex with ADU-S100 | | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, CALCIUM ION, SODIUM ION, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-14 | | Release date: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Crystal structure of human STING in complex with ADU-S100
To Be Published
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2WW4
 | | a triclinic crystal form of E. coli 4-diphosphocytidyl-2C-methyl-D- erythritol kinase | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL | | Authors: | Kalinowska-Tluscik, J, Miallau, L, Gabrielsen, M, Leonard, G.A, McSweeney, S.M, Hunter, W.N. | | Deposit date: | 2009-10-21 | | Release date: | 2010-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Triclinic Crystal Form of Escherichia Coli 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase and Reassessment of the Quaternary Structure.
Acta Crystallogr.,Sect.F, 66, 2010
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3UID
 | | Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis | | Descriptor: | Putative uncharacterized protein | | Authors: | Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5CCA
 | | Crystal structure of Mtb toxin | | Descriptor: | Endoribonuclease MazF3 | | Authors: | Cascio, D, Arbing, M, de Serrano, V, Eisenberg, D, Miallau, L, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of Mtb toxin
To Be Published
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8A66
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L, Weber, C. | | Deposit date: | 2022-06-16 | | Release date: | 2022-07-20 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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8A5J
 | | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-06-15 | | Release date: | 2022-07-13 | | Method: | X-RAY DIFFRACTION (2.123 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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7Z4V
 | | Structure of Serine-Threonine kinase STK25 in complex with compound | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-03-04 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Bioorg.Med.Chem.Lett., 75, 2022
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7AZB
 | | Structure of DDR2 DS domain in complex with VHH | | Descriptor: | Discoidin domain-containing receptor 2, VHH | | Authors: | Talagas, A, Nawrotek, A, Arrial, A, Vuillard, L.M, Miallau, L. | | Deposit date: | 2020-11-16 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of DDR2 DS domain in complex with VHH
To Be Published
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7AYM
 | | Structure of DDR2 Kinase domain in complex with IBZ3 | | Descriptor: | Discoidin domain-containing receptor 2,Epithelial discoidin domain-containing receptor 1, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Nawrotek, A, Talagas, A, Vuillard, L.M, Miallau, L. | | Deposit date: | 2020-11-12 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of DDR2 Kinase domain in complex with IBZ3
To Be Published
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8A46
 | | Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879 | | Descriptor: | 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid, Kelch-like ECH-associated protein 1 | | Authors: | Weber, C, Vuillard, L, Delerive, P, Miallau, L. | | Deposit date: | 2022-06-10 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.323 Å) | | Cite: | Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice.
JHEP Rep, 5, 2023
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3H87
 | | Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
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