8ASN
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7YXW
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![BU of 7yxw by Molmil](/molmil-images/mine/7yxw) | Structure of the p22phox A200G mutant in complex with p47phox peptide | Descriptor: | Cytochrome b-245 light chain, Neutrophil cytosol factor 1 | Authors: | Cukier, C.D, Vuillard, L.M, Komjati, B, Szlavik, Z. | Deposit date: | 2022-02-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics Acs Med.Chem.Lett., 13, 2022
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7Z4V
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![BU of 7z4v by Molmil](/molmil-images/mine/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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5HKG
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![BU of 5hkg by Molmil](/molmil-images/mine/5hkg) | Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6). | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A. | Deposit date: | 2016-01-14 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6). Protein Sci., 25, 2016
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7OTS
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![BU of 7ots by Molmil](/molmil-images/mine/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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8QEL
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![BU of 8qel by Molmil](/molmil-images/mine/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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4DM5
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7PWD
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![BU of 7pwd by Molmil](/molmil-images/mine/7pwd) | Structure of an inhibited GRK2-G-beta and G-gamma complex | Descriptor: | 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide, Beta-adrenergic receptor kinase 1, CHLORIDE ION, ... | Authors: | Faucher, N, Tauchert, M.J, Konz Makino, D.L, Vuillard, L.M. | Deposit date: | 2021-10-06 | Release date: | 2021-10-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis of thieno[2,3-c]pyridine derived GRK2 inhibitors Monatsh Chem, 2022
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3N26
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![BU of 3n26 by Molmil](/molmil-images/mine/3n26) | Cpn0482 : the arginine binding protein from the periplasm of chlamydia Pneumoniae | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | Authors: | Petit, P, Garcia, C, Vuillard, L, Soriani, M, Grandi, G, Marseilles Structural Genomics Program AFMB (MSGP), Marseilles Structural Genomics Program @ AFMB (MSGP) | Deposit date: | 2010-05-17 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploiting antigenic diversity for vaccine design: the Chlamydia ArtJ paradigm. J.Biol.Chem., 2010
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7AZB
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![BU of 7azb by Molmil](/molmil-images/mine/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
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![BU of 7aym by Molmil](/molmil-images/mine/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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4XH9
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![BU of 4xh9 by Molmil](/molmil-images/mine/4xh9) | CRYSTAL STRUCTURE OF HUMAN RHOA IN COMPLEX WITH DH/PH FRAGMENT OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR NET1 | Descriptor: | Neuroepithelial cell-transforming gene 1 protein, Transforming protein RhoA | Authors: | Garcia, C, Petit, P, Boutin, J.A, Ferry, G, Vuillard, L. | Deposit date: | 2015-01-05 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot. J. Biol. Chem., 293, 2018
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3ID8
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![BU of 3id8 by Molmil](/molmil-images/mine/3id8) | Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and AMP-PNP | Descriptor: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, MAGNESIUM ION, ... | Authors: | Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | Deposit date: | 2009-07-20 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
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3IDH
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![BU of 3idh by Molmil](/molmil-images/mine/3idh) | Human pancreatic glucokinase in complex with glucose | Descriptor: | Glucokinase, POTASSIUM ION, alpha-D-glucopyranose | Authors: | Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | Deposit date: | 2009-07-21 | Release date: | 2010-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
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4NO7
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![BU of 4no7 by Molmil](/molmil-images/mine/4no7) | Human Glucokinase in complex with a nanomolar activator. | Descriptor: | (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose | Authors: | Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L. | Deposit date: | 2013-11-19 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The active conformation of human glucokinase is not altered by allosteric activators. Acta Crystallogr. D Biol. Crystallogr., 67, 2011
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4NNZ
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7NEE
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![BU of 7nee by Molmil](/molmil-images/mine/7nee) | Inhibitor Complex with Thrombin Activatable Fibrinolysis inhibitor (TAFIa) | Descriptor: | (1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide, Carboxypeptidase B2, ZINC ION | Authors: | Brown, D.G, Schaffner, A.P, Gloanec, P, Raimbaud, E, Vuillard, L.M. | Deposit date: | 2021-02-03 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phosphinanes and Azaphosphinanes as Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (TAFIa). J.Med.Chem., 64, 2021
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7NEU
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![BU of 7neu by Molmil](/molmil-images/mine/7neu) | Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) | Descriptor: | (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brown, D.G, Schaffner, A.P, Vuillard, L.M, Gloanec, P, Raimbauld, E. | Deposit date: | 2021-02-04 | Release date: | 2021-04-07 | Last modified: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phosphinanes and Azaphosphinanes as Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (TAFIa). J.Med.Chem., 64, 2021
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8A46
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![BU of 8a46 by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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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1W50
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![BU of 1w50 by Molmil](/molmil-images/mine/1w50) | Apo Structure of BACE (Beta Secretase) | Descriptor: | BETA-SECRETASE 1, IODIDE ION | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | Deposit date: | 2004-08-04 | Release date: | 2004-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase) J.Mol.Biol., 343, 2004
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1W51
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![BU of 1w51 by Molmil](/molmil-images/mine/1w51) | BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor | Descriptor: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | Deposit date: | 2004-08-04 | Release date: | 2004-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase) J.Mol.Biol., 343, 2004
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3F9M
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![BU of 3f9m by Molmil](/molmil-images/mine/3f9m) | Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap | Descriptor: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, alpha-D-glucopyranose | Authors: | Petit, P, Gluais, L, Lagarde, A, Vuillard, L, Boutin, J.A, Ferry, G. | Deposit date: | 2008-11-14 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
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3FGU
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![BU of 3fgu by Molmil](/molmil-images/mine/3fgu) | Catalytic complex of Human Glucokinase | Descriptor: | Glucokinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Petit, P, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | Deposit date: | 2008-12-08 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
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8B2J
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![BU of 8b2j by Molmil](/molmil-images/mine/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 | Last modified: | 2024-05-01 | 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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3DEL
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![BU of 3del by Molmil](/molmil-images/mine/3del) | |