Author results

1EEH
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor:UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J.A., Fanchon, E., Martin, L., Chantalat, L., Auger, G., Blanot, D., van Heijenoort, J., Dideberg, O.
Deposit date:2000-01-31
Release date:2001-01-17
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
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
1LIT
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HUMAN LITHOSTATHINE
Descriptor:LITHOSTATHINE
Authors:Bertrand, J.A., Pignol, D., Bernard, J.-P., Verdier, J.-M., Dagorn, J.-C., Fontacilla-Camps, J.C.
Deposit date:1996-01-17
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human lithostathine, the pancreatic inhibitor of stone formation.
EMBO J., 15, 1996
1PYX
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GSK-3 BETA COMPLEXED WITH AMP-PNP
Descriptor:Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
Deposit date:2003-07-09
Release date:2003-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors
J.Mol.Biol., 333, 2003
1Q3D
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GSK-3 BETA COMPLEXED WITH STAUROSPORINE
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, STAUROSPORINE
Authors:Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
Deposit date:2003-07-29
Release date:2003-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
1Q3W
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GSK-3 BETA COMPLEXED WITH ALSTERPAULLONE
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
Authors:Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
Deposit date:2003-08-01
Release date:2003-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
1Q41
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GSK-3 BETA COMPLEXED WITH INDIRUBIN-3'-MONOXIME
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
Authors:Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
Deposit date:2003-08-01
Release date:2003-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
1Q4L
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GSK-3 BETA COMPLEXED WITH INHIBITOR I-5
Descriptor:GLYCOGEN SYNTHASE KINASE-3 BETA, 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID
Authors:Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
Deposit date:2003-08-04
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors
J.Mol.Biol., 333, 2003
2XCL
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NUCLEOTIDE-BOUND STRUCTURES OF BACILLUS SUBTILIS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE
Descriptor:PHOSPHORIBOSYLAMINE--GLYCINE LIGASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION
Authors:Bertrand, J.A., Chen, S., Zalkin, H., Smith, J.L.
Deposit date:2010-04-23
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
2XD4
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NUCLEOTIDE-BOUND STRUCTURES OF BACILLUS SUBTILIS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE
Descriptor:PHOSPHORIBOSYLAMINE--GLYCINE LIGASE, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Bertrand, J.A., Chen, S., Zalkin, H., Smith, J.L.
Deposit date:2010-04-29
Release date:2011-03-23
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
4A4L
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE PLK1, ZINC ION, L(+)-TARTARIC ACID, ...
Authors:Bertrand, J.A., Bossi, R.T.
Deposit date:2011-10-17
Release date:2012-01-11
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4A4O
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE PLK1, ZINC ION, L(+)-TARTARIC ACID, ...
Authors:Bertrand, J.A., Bossi, R.T.
Deposit date:2011-10-18
Release date:2012-01-11
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4AQ3
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HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor:APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A., Fasolini, M., Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
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
151D
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DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES
Descriptor:DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN
Authors:Lipscomb, L.A., Peek, M.E., Zhou, F.X., Bertrand, J.A., VanDerveer, D., Williams, L.D.
Deposit date:1993-12-13
Release date:1994-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes.
Biochemistry, 33, 1994
152D
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DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES
Descriptor:DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DAUNOMYCIN
Authors:Lipscomb, L.A., Peek, M.E., Zhou, F.X., Bertrand, J.A., VanDerveer, D., Williams, L.D.
Deposit date:1993-12-13
Release date:1994-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes.
Biochemistry, 33, 1994
154D
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DNA DISTORTION IN BIS-INTERCALATED COMPLEXES
Descriptor:DNA (5'-D(*(CBR)P*GP*CP*G)-3'), BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE
Authors:Peek, M.E., Lipscomb, L.A., Bertrand, J.A., Gao, Q., Roques, B.P., Garbay-Jaureguiberry, C., Williams, L.D.
Deposit date:1993-12-14
Release date:1994-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA distortion in bis-intercalated complexes.
Biochemistry, 33, 1994
2X9E
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HUMAN MPS1 IN COMPLEX WITH NMS-P715
Descriptor:DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
Authors:Colombo, R., Caldarelli, M., Mennecozzi, M., Giorgini, M.L., Sola, F., Cappella, P., Perrera, C., DePaolini, S.R., Rusconi, L., Cucchi, U., Avanzi, N., Bertrand, J.A., Bossi, R.T., Pesenti, E., Galvani, A., Isacchi, A., Colotta, F., Donati, D., Moll, J.
Deposit date:2010-03-17
Release date:2010-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
2XB7
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STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH NVP- TAE684
Descriptor:ALK TYROSINE KINASE RECEPTOR, 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE
Authors:Bossi, R.T., Saccardo, M.B., Ardini, E., Menichincheri, M., Rusconi, L., Magnaghi, P., Orsini, P., Fogliatto, G., Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2XBA
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STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH PHA- E429
Descriptor:ALK TYROSINE KINASE RECEPTOR, 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
Authors:Bossi, R.T., Saccardo, M.B., Ardini, E., Menichincheri, M., Rusconi, L., Magnaghi, P., Orsini, P., Fogliatto, G., Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2XRU
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AURORA-A T288E COMPLEXED WITH PHA-828300
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
Authors:Bindi, S., Fancelli, D., Alli, C., Berta, D., Bertrand, J.A., Cameron, A.D., Cappella, P., Carpinelli, P., Cervi, G., Croci, W., D'Anello, M., Forte, B., LauraGiorgini, M., Marsiglio, A., Moll, J., Pesenti, E., Pittala, V., Pulici, M., Riccardi-Sirtori, F., Roletto, F., Soncini, C., Storici, P., Varasi, M., Volpi, D., Zugnoni, P., Vianello, P.
Deposit date:2010-09-22
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
2Y1W
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
Descriptor:HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN, 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE
Authors:Sack, J.S., Thieffine, S., Bandiera, T., Fasolini, M., Duke, G.J., Jayaraman, L., Kish, K.F., Klei, H.E., Purandare, A.V., Rosettani, P., Troiani, S., Xie, D., Bertrand, J.A.
Deposit date:2010-12-10
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2Y1X
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
Descriptor:HISTONE-ARGININE METHYLTRANSFERASE CARM1, S-ADENOSYL-L-HOMOCYSTEINE, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ...
Authors:Sack, J.S., Thieffine, S., Bandiera, T., Fasolini, M., Duke, G.J., Jayaraman, L., Kish, K.F., Klei, H.E., Purandare, A.V., Rosettani, P., Troiani, S., Xie, D., Bertrand, J.A.
Deposit date:2010-12-10
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
3KB7
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR
Descriptor:Serine/threonine-protein kinase PLK1, 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, ZINC ION, ...
Authors:Bossi, R.T., Bertrand, J.A.
Deposit date:2009-10-20
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53, 2010
3U0Z
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TETRAMERIZATION DYNAMICS OF THE C-TERMINUS UNDERLIES ISOFORM-SPECIFIC CAMP-GATING IN HCN CHANNELS
Descriptor:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Authors:Lolicato, M., Nardini, M., Gazzarrini, S., Moller, S., Bertinetti, D., Herberg, F.W., Bolognesi, M., Martin, H., Fasolini, M., Bertrand, J.A., Arrigoni, C., Thiel, G., Moroni, A.
Deposit date:2011-09-29
Release date:2011-10-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Tetramerization dynamics of C-terminal domain underlies isoform-specific cAMP gating in hyperpolarization-activated cyclic nucleotide-gated channels.
J.Biol.Chem., 286, 2011
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