3UAG
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![BU of 3uag by Molmil](/molmil-images/mine/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
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![BU of 1eeh by Molmil](/molmil-images/mine/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
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![BU of 1lit by Molmil](/molmil-images/mine/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
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![BU of 1q4l by Molmil](/molmil-images/mine/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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1Q3W
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![BU of 1q3w by Molmil](/molmil-images/mine/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
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![BU of 1q41 by Molmil](/molmil-images/mine/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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1Q3D
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![BU of 1q3d by Molmil](/molmil-images/mine/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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1PYX
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![BU of 1pyx by Molmil](/molmil-images/mine/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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2XCL
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![BU of 2xcl by Molmil](/molmil-images/mine/2xcl) | |
2XD4
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![BU of 2xd4 by Molmil](/molmil-images/mine/2xd4) | |
4A4O
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![BU of 4a4o by Molmil](/molmil-images/mine/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
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![BU of 4aq3 by Molmil](/molmil-images/mine/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
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![BU of 4a4l by Molmil](/molmil-images/mine/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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2Y1W
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![BU of 2y1w by Molmil](/molmil-images/mine/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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2XB7
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![BU of 2xb7 by Molmil](/molmil-images/mine/2xb7) | Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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2XBA
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![BU of 2xba by Molmil](/molmil-images/mine/2xba) | Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | Descriptor: | 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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2Y1X
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![BU of 2y1x by Molmil](/molmil-images/mine/2y1x) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | Descriptor: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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1QDD
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![BU of 1qdd by Molmil](/molmil-images/mine/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
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![BU of 3kb7 by Molmil](/molmil-images/mine/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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154D
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![BU of 154d by Molmil](/molmil-images/mine/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
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![BU of 151d by Molmil](/molmil-images/mine/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
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![BU of 152d by Molmil](/molmil-images/mine/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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3U0Z
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![BU of 3u0z by Molmil](/molmil-images/mine/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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3U10
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![BU of 3u10 by Molmil](/molmil-images/mine/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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3U11
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![BU of 3u11 by Molmil](/molmil-images/mine/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: | 2023-12-06 | 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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