Author results

2UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE, ...
Authors:Bertrand, J., Fanchon, E., Dideberg, O.
Deposit date:1999-02-23
Release date:2000-02-25
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
4UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, SULFATE ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE, ...
Authors:Bertrand, J., Auger, G., Martin, L., Fanchon, E., Blanot, D., Le Beller, D., Van Heijenoort, J., Dideberg, O.
Deposit date:1999-03-09
Release date:2000-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
1E0D
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, SULFATE ION
Authors:Fanchon, E., Bertrand, J., Chantalat, L., Dideberg, O.
Deposit date:2000-03-24
Release date:2000-06-09
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
4D0W
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
Descriptor:TYROSINE-PROTEIN KINASE JAK2, GLYCEROL, 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide
Authors:Bertrand, J., Canevari, G., Fasolini, M., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
Deposit date:2014-04-30
Release date:2014-07-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D1S
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
Authors:Bertrand, J., Canevari, G., Fasolini, M., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
Deposit date:2014-05-05
Release date:2014-07-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
2GFS
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH RO3201195
Descriptor:Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Harris, S.F., Bertrand, J., Villasenor, A.
Deposit date:2006-03-23
Release date:2006-04-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
4D0X
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PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 INHIBITORS
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL
Authors:Canevari, G., Fasolini, M., Bertrand, J., Brasca, M.G., Nesi, M., Avanzi, N., Ballinari, D., Bandiera, T., Bindi, S., Carenzi, D., Casero, D., Ceriani, L., Ciomei, M., Cirla, A., Colombo, M., Cribioli, S., Cristiani, C., Della Vedova, F., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Mirizzi, D., Motto, I., Panzeri, A., Pesenti, E., Vianello, P., Gnocchi, P., Donati, D.
Deposit date:2014-04-30
Release date:2014-07-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
5AEP
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NOVEL PYRROLE CARBOXAMIDE INHIBITORS OF JAK2 AS POTENTIAL TREATMENT OF MYELOPROLIFERATIVE DISORDERS
Descriptor:TYROSINE-PROTEIN KINASE JAK2, 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide
Authors:Canevari, G., Bertrand, J., Brasca, M.G., Nesi, M., Amboldi, N., Avanzi, N., Bindi, S., Casero, D., Ciomei, M., Colombo, N., Cribioli, S., Fachin, G., Felder, E.R., Galvani, A., Isacchi, A., Motto, I., Panzeri, A., Gnocchi, P., Donati, D.
Deposit date:2015-01-08
Release date:2015-04-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
1MAX
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BETA-TRYPSIN PHOSPHONATE INHIBITED
Descriptor:BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Authors:Bertrand, J., Oleksyszyn, J., Kam, C., Boduszek, B., Presnell, S., Plaskon, R., Suddath, F., Powers, J., Williams, L.
Deposit date:1996-02-06
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
1MAY
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BETA-TRYPSIN PHOSPHONATE INHIBITED
Descriptor:BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Authors:Bertrand, J., Oleksyszyn, J., Kam, C., Boduszek, B., Presnell, S., Plaskon, R., Suddath, F., Powers, J., Williams, L.
Deposit date:1996-02-06
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
1UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYL-L-ALANINE/:D-GLUTAMATE LIGASE, SULFATE ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J., Fanchon, E., Dideberg, O.
Deposit date:1997-03-13
Release date:1998-03-18
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase from Escherichia coli.
EMBO J., 16, 1997
3UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE, ...
Authors:Bertrand, J.A., Auger, G., Martin, L., Fanchon, E., Blanot, D., Le Beller, D., Van Heijenoort, J., Dideberg, O.
Deposit date:1999-02-24
Release date:2000-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
1QDD
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CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION
Descriptor:LITHOSTATHINE, O-SIALIC ACID, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Gerbaud, V., Pignol, D., Loret, E., Bertrand, J.A., Berland, Y., Fontecilla-Camps, J.C., Canselier, J.P., Gabas, N., Verdier, J.M.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine.
J.Biol.Chem., 275, 2000
1BJU
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BETA-TRYPSIN COMPLEXED WITH ACPU
Descriptor:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Presnell, S., Patil, G., Mura, C., Jude, K., Conley, J., Kam, C., Bertrand, J., Powers, J., Williams, L.
Deposit date:1998-06-29
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
1BJV
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BETA-TRYPSIN COMPLEXED WITH APPU
Descriptor:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Presnell, S., Patil, G., Mura, C., Jude, K., Conley, J., Kam, C., Bertrand, J., Powers, J., Williams, L.
Deposit date:1998-06-29
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
4O3M
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TERNARY COMPLEX OF BLOOM'S SYNDROME HELICASE
Descriptor:Bloom syndrome protein, 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP*CP*AP*AP*G)-3', 5'-D(*CP*TP*TP*GP*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*TP*CP*CP*CP*TP*TP*A)-3', ...
Authors:Swan, M.K., Bertrand, J.
Deposit date:2013-12-18
Release date:2014-03-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human Bloom's syndrome helicase in complex with ADP and duplex DNA.
Acta Crystallogr.,Sect.D, 70, 2014
3FSF
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH 3-(2,6-DICHLORO-PHENYL)-7-[4-(2-DIETHYLAMINO-ETHOXY)-PHENYLAMINO]-1-METHYL-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE
Descriptor:Mitogen-activated protein kinase 14, 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Authors:Kuglstatter, A., Bertrand, J., Lovejoy, B.
Deposit date:2009-01-09
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FSK
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH RO6257
Descriptor:Mitogen-activated protein kinase 14, 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Authors:Kuglstatter, A., Bertrand, J., Takahara, P., Villasenor, A.
Deposit date:2009-01-09
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published