3UAG
 
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | 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: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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1EEH
 | | 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: | 2024-02-07 | | 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
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1LIT
 | | 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
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1Q4L
 | | GSK-3 Beta complexed with Inhibitor I-5 | | Descriptor: | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID, GLYCOGEN SYNTHASE KINASE-3 BETA | | 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: | 2023-08-16 | | 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
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1PYX
 | | 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: | 2023-08-16 | | 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
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1Q3D
 | | 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: | 2023-08-16 | | 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
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1Q3W
 | | GSK-3 Beta complexed with Alsterpaullone | | Descriptor: | 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 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: | 2023-08-16 | | 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
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1Q41
 | | GSK-3 Beta complexed with Indirubin-3'-monoxime | | Descriptor: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA | | 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: | 2023-08-16 | | 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
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2XCL
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2XD4
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4A4O
 | | 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: | 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | Authors: | Bertrand, J.A, Bossi, R.T. | | Deposit date: | 2011-10-18 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-01 | | 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
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4AQ3
 | | 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: | 2024-05-01 | | 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
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4A4L
 | | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR | | Descriptor: | 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | Authors: | Bertrand, J.A, Bossi, R.T. | | Deposit date: | 2011-10-17 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-01 | | 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
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2YAC
 | | Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | | Descriptor: | 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | | Authors: | Bertrand, J.A, Bossi, R.T. | | Deposit date: | 2011-02-18 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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1QDD
 | | CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION | | Descriptor: | LITHOSTATHINE, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-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: | 2021-11-03 | | 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
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3KB7
 | | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | | Descriptor: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | | Authors: | Bossi, R.T, Bertrand, J.A. | | Deposit date: | 2009-10-20 | | Release date: | 2010-05-19 | | Last modified: | 2024-04-03 | | 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
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3U10
 | | Tetramerization dynamics of the C-terminus underlies isoform-specific cAMP-gating in HCN channels | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | 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: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 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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3U0Z
 | | Tetramerization dynamics of the C-terminus underlies isoform-specific cAMP-gating in HCN channels | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | 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: | 2023-11-01 | | 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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3U11
 | | Tetramerization dynamics of the C-terminus underlies isoform-specific cAMP-gating in HCN channels | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 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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154D
 | | DNA DISTORTION IN BIS-INTERCALATED COMPLEXES | | Descriptor: | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE, DNA (5'-D(*(CBR)P*GP*CP*G)-3') | | 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: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA distortion in bis-intercalated complexes.
Biochemistry, 33, 1994
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151D
 | | 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: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes.
Biochemistry, 33, 1994
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152D
 | | DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES | | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | | 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: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes.
Biochemistry, 33, 1994
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2X9E
 | | 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: | 2023-12-20 | | 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
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2XRU
 | | AURORA-A T288E COMPLEXED WITH PHA-828300 | | Descriptor: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | 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: | 2024-05-08 | | 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
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2Y1W
 | | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | | Descriptor: | 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
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