Author results

4O3M
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TERNARY COMPLEX OF BLOOM'S SYNDROME HELICASE
分子名称: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', ...
著者Swan, M.K., Bertrand, J.
登録日2013-12-18
公開日2014-03-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human Bloom's syndrome helicase in complex with ADP and duplex DNA.
Acta Crystallogr.,Sect.D, 70, 2014
4BKY
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CRYSTAL STRUCTURE OF UNPHOSPHORYLATED MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (MELK) IN COMPLEX WITH PYRROLOPYRAZOLE INHIBITOR
分子名称:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide, UNKNOWN ATOM OR ION
著者Canevari, G., Re Depaolini, S., Cucchi, U., Forte, B., Carpinelli, P., Bertrand, J.A.
登録日2013-04-30
公開日2013-08-21
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design.
Biochemistry, 52, 2013
4BKZ
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CRYSTAL STRUCTURE OF UNPHOSPHORYLATED MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (MELK) IN COMPLEX WITH A BENZODIPYRAZOLE INHIBITOR
分子名称:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
著者Canevari, G., Re Depaolini, S., Cucchi, U., Forte, B., Carpinelli, P., Bertrand, J.A.
登録日2013-04-30
公開日2013-08-21
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design.
Biochemistry, 52, 2013
4BL1
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CRYSTAL STRUCTURE OF UNPHOSPHORYLATED MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE (MELK) IN COMPLEX WITH AMP-PNP
分子名称:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Canevari, G., Re-Depaolini, S., Cucchi, U., Forte, B., Carpinelli, P., Bertrand, J.A.
登録日2013-04-30
公開日2013-05-08
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Unphosphorylated Maternal Embryonic Leucine Zipper Kinase
To be Published
4AQ3
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HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
分子名称: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
著者Bertrand, J.A., Fasolini, M., Modugno, M.
登録日2012-04-12
公開日2012-06-06
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
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
分子名称:SERINE/THREONINE-PROTEIN KINASE PLK1, ZINC ION, L(+)-TARTARIC ACID, ...
著者Bertrand, J.A., Bossi, R.T.
登録日2011-10-18
公開日2012-01-11
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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
分子名称:SERINE/THREONINE-PROTEIN KINASE PLK1, ZINC ION, L(+)-TARTARIC ACID, ...
著者Bertrand, J.A., Bossi, R.T.
登録日2011-10-17
公開日2012-01-11
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
3U0Z
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TETRAMERIZATION DYNAMICS OF THE C-TERMINUS UNDERLIES ISOFORM-SPECIFIC CAMP-GATING IN HCN CHANNELS
分子名称:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
著者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.
登録日2011-09-29
公開日2011-10-26
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tetramerization dynamics of C-terminal domain underlies isoform-specific cAMP gating in hyperpolarization-activated cyclic nucleotide-gated channels.
J.Biol.Chem., 286, 2011
3U10
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TETRAMERIZATION DYNAMICS OF THE C-TERMINUS UNDERLIES ISOFORM-SPECIFIC CAMP-GATING IN HCN CHANNELS
分子名称:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
著者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.
登録日2011-09-29
公開日2011-10-26
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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TETRAMERIZATION DYNAMICS OF THE C-TERMINUS UNDERLIES ISOFORM-SPECIFIC CAMP-GATING IN HCN CHANNELS
分子名称:Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL
著者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.
登録日2011-09-29
公開日2011-10-26
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tetramerization dynamics of C-terminal domain underlies isoform-specific cAMP gating in hyperpolarization-activated cyclic nucleotide-gated channels.
J.Biol.Chem., 286, 2011
2YAC
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH NMS-P937
分子名称:SERINE/THREONINE-PROTEIN KINASE PLK1, 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, ZINC ION, ...
著者Bertrand, J.A., Bossi, R.T.
登録日2011-02-18
公開日2011-04-06
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2Y1W
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称:HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN, 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE
著者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.
登録日2010-12-10
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: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, ...
著者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.
登録日2010-12-10
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2XRU
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AURORA-A T288E COMPLEXED WITH PHA-828300
分子名称: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
著者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.
登録日2010-09-22
公開日2010-09-29
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
2XD4
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NUCLEOTIDE-BOUND STRUCTURES OF BACILLUS SUBTILIS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE
分子名称:PHOSPHORIBOSYLAMINE--GLYCINE LIGASE, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE
著者Bertrand, J.A., Chen, S., Zalkin, H., Smith, J.L.
登録日2010-04-29
公開日2011-03-23
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
2XCL
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NUCLEOTIDE-BOUND STRUCTURES OF BACILLUS SUBTILIS GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE
分子名称:PHOSPHORIBOSYLAMINE--GLYCINE LIGASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION
著者Bertrand, J.A., Chen, S., Zalkin, H., Smith, J.L.
登録日2010-04-23
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
2XB7
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STRUCTURE OF HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH NVP- TAE684
分子名称: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
著者Bossi, R.T., Saccardo, M.B., Ardini, E., Menichincheri, M., Rusconi, L., Magnaghi, P., Orsini, P., Fogliatto, G., Bertrand, J.A.
登録日2010-04-08
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: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
著者Bossi, R.T., Saccardo, M.B., Ardini, E., Menichincheri, M., Rusconi, L., Magnaghi, P., Orsini, P., Fogliatto, G., Bertrand, J.A.
登録日2010-04-08
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2X9E
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HUMAN MPS1 IN COMPLEX WITH NMS-P715
分子名称: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
著者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.
登録日2010-03-17
公開日2010-12-29
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase.
Cancer Res., 70, 2010
3KB7
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CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR
分子名称: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, ...
著者Bossi, R.T., Bertrand, J.A.
登録日2009-10-20
公開日2010-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3DU8
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CRYSTAL STRUCTURE OF GSK-3 BETA IN COMPLEX WITH NMS-869553A
分子名称:Glycogen synthase kinase-3 beta, (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
著者Bossi, R.T.
登録日2008-07-17
公開日2009-03-03
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52, 2009
1Q4L
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GSK-3 BETA COMPLEXED WITH INHIBITOR I-5
分子名称:GLYCOGEN SYNTHASE KINASE-3 BETA, 2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-3-YLAMINO]-BENZOIC ACID
著者Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
登録日2003-08-04
公開日2003-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献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
分子名称:GLYCOGEN SYNTHASE KINASE-3 BETA, 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
著者Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
登録日2003-08-01
公開日2003-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称:GLYCOGEN SYNTHASE KINASE-3 BETA, (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
著者Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
登録日2003-08-01
公開日2003-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称:GLYCOGEN SYNTHASE KINASE-3 BETA, STAUROSPORINE
著者Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
登録日2003-07-29
公開日2003-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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