1OW8
 
 | | Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | | 分子名称: | Focal adhesion kinase 1, Paxillin | | 著者 | Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T. | | 登録日 | 2003-03-28 | | 公開日 | 2003-10-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Molecular Recognition of Paxillin LD Motifs
by the Focal Adhesion Targeting Domain
Structure, 11, 2003
|
|
5DHP
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | 分子名称: | 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine, CITRIC ACID, GLYCEROL, ... | | 著者 | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | 登録日 | 2015-08-31 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
|
|
5DHR
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | 分子名称: | 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | | 著者 | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | 登録日 | 2015-08-31 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
|
|
5DHU
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | 分子名称: | 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | | 著者 | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | 登録日 | 2015-08-31 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
|
|
5DHQ
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | 分子名称: | 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | | 著者 | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | 登録日 | 2015-08-31 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
|
|
2NTN
 | | Crystal structure of MabA-C60V/G139A/S144L | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] reductase | | 著者 | Poncet-Montange, G, Ducasse-Cabanot, S, Quemard, A, Labesse, G, Cohen-Gonsaud, M. | | 登録日 | 2006-11-08 | | 公開日 | 2006-11-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lack of dynamics in the MabA active site kills the enzyme activity: practical consequences for drug-design studies
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
|
|
4DY6
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate | | 分子名称: | CITRIC ACID, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, inorganic polyphosphate/ATP-NAD kinase 1 | | 著者 | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | | 登録日 | 2012-02-28 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
|
|
2Q5F
 | | Crystal structure of LMNADK1 from Listeria monocytogenes | | 分子名称: | (2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL], Probable inorganic polyphosphate/ATP-NAD kinase 1 | | 著者 | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | | 登録日 | 2007-06-01 | | 公開日 | 2007-08-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
|
|
4HX9
 | | Designed Phosphodeoxyribosyltransferase | | 分子名称: | Nucleoside deoxyribosyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL | | 著者 | Kaminski, P.A, Labesse, G. | | 登録日 | 2012-11-09 | | 公開日 | 2013-01-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Phosphodeoxyribosyltransferases, designed enzymes for deoxyribonucleotides synthesis.
J.Biol.Chem., 288, 2013
|
|
1U3I
 | | Crystal structure of glutathione S-tranferase from Schistosoma mansoni | | 分子名称: | GLUTATHIONE, Glutathione S-transferase 28 kDa | | 著者 | Chomilier, J, Vaney, M.C, Labesse, G, Trottein, F, Capron, A, Mormon, J.-P. | | 登録日 | 2004-07-22 | | 公開日 | 2005-07-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal structure of Schistosoma mansoni glutathione S-transferase
To be Published
|
|
2LQJ
 | |
4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XN6
 | | Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine | | 分子名称: | BENZAMIDINE, Lysozyme C | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2021-08-04 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XOZ
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XRL
 | | Crystal structure at room temperature of Erk2 in complex with an inhibitor | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-21 | | 公開日 | 2016-03-23 | | 最終更新日 | 2016-03-30 | | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | | 主引用文献 | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XNC
 | | Crystal structure at room temperature of cyclophilin D in complex with an inhibitor | | 分子名称: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XOY
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XP0
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2017-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4XRJ
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-21 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
3QYZ
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | 著者 | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | | 登録日 | 2011-03-04 | | 公開日 | 2011-08-24 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
3QYW
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | | 登録日 | 2011-03-04 | | 公開日 | 2011-08-24 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
2KLH
 | | NMR Structure of RCL in complex with GMP | | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, c-Myc-responsive protein Rcl | | 著者 | Padilla, A, Yang, Y, Labesse, G, Zhang, C, Kaminski, P.A. | | 登録日 | 2009-07-02 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural characterization of the mammalian deoxynucleotide N-hydrolase Rcl and its stabilizing interactions with two inhibitors
J.Mol.Biol., 394, 2009
|
|
3V7U
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with MTA | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CITRIC ACID, GLYCEROL, ... | | 著者 | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | | 登録日 | 2011-12-22 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
|
|
3V8N
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 8-bromo-5'-amino-5'-deoxyadenosine, reacted with a citrate molecule in N site | | 分子名称: | 5'-amino-8-bromo-5'-deoxyadenosine, 8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine, CITRIC ACID, ... | | 著者 | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | | 登録日 | 2011-12-23 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3801 Å) | | 主引用文献 | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
|
|
3V8R
 | | Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-8-bromo-5'-deoxyadenosine | | 分子名称: | 5'-amino-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | | 著者 | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | | 登録日 | 2011-12-23 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
|
|
