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1EEH
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BU of 1eeh by Molmil
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
3UAG
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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
1LIT
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BU of 1lit by Molmil
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
1Q4L
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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
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: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
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: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
1Q3W
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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
1Q41
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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
2XCL
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BU of 2xcl by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
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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BU of 2xd4 by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
Authors:Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
Deposit date:2010-04-29
Release date:2011-03-23
Last modified:2023-12-20
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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BU of 4a4l by Molmil
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:2019-04-03
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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BU of 4a4o by Molmil
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:2019-05-15
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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BU of 4aq3 by Molmil
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
154D
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BU of 154d by Molmil
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
151D
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BU of 151d by Molmil
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
152D
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BU of 152d by Molmil
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
1QDD
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BU of 1qdd by Molmil
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
3KB7
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BU of 3kb7 by Molmil
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: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
3U10
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BU of 3u10 by Molmil
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
3U0Z
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BU of 3u0z by Molmil
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
3U11
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BU of 3u11 by Molmil
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
2X9E
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BU of 2x9e by Molmil
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
2XBA
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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: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
2XB7
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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: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
2Y1X
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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: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

 

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