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151D
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DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES
分子名称:DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN
著者Lipscomb, L.A., Peek, M.E., Zhou, F.X., Bertrand, J.A., VanDerveer, D., Williams, L.D.
登録日1993-12-13
公開日1994-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称:DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DAUNOMYCIN
著者Lipscomb, L.A., Peek, M.E., Zhou, F.X., Bertrand, J.A., VanDerveer, D., Williams, L.D.
登録日1993-12-13
公開日1994-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称:DNA (5'-D(*(CBR)P*GP*CP*G)-3'), BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE
著者Peek, M.E., Lipscomb, L.A., Bertrand, J.A., Gao, Q., Roques, B.P., Garbay-Jaureguiberry, C., Williams, L.D.
登録日1993-12-14
公開日1994-08-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献DNA distortion in bis-intercalated complexes.
Biochemistry, 33, 1994
1MAX
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BETA-TRYPSIN PHOSPHONATE INHIBITED
分子名称:BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
著者Bertrand, J., Oleksyszyn, J., Kam, C., Boduszek, B., Presnell, S., Plaskon, R., Suddath, F., Powers, J., Williams, L.
登録日1996-02-06
公開日1996-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
1MAY
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BETA-TRYPSIN PHOSPHONATE INHIBITED
分子名称:BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
著者Bertrand, J., Oleksyszyn, J., Kam, C., Boduszek, B., Presnell, S., Plaskon, R., Suddath, F., Powers, J., Williams, L.
登録日1996-02-06
公開日1996-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
1LIT
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HUMAN LITHOSTATHINE
分子名称:LITHOSTATHINE
著者Bertrand, J.A., Pignol, D., Bernard, J.-P., Verdier, J.-M., Dagorn, J.-C., Fontacilla-Camps, J.C.
登録日1996-01-17
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of human lithostathine, the pancreatic inhibitor of stone formation.
EMBO J., 15, 1996
1UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称:UDP-N-ACETYLMURAMOYL-L-ALANINE/:D-GLUTAMATE LIGASE, SULFATE ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
著者Bertrand, J., Fanchon, E., Dideberg, O.
登録日1997-03-13
公開日1998-03-18
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase from Escherichia coli.
EMBO J., 16, 1997
1BJU
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BETA-TRYPSIN COMPLEXED WITH ACPU
分子名称:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
著者Presnell, S., Patil, G., Mura, C., Jude, K., Conley, J., Kam, C., Bertrand, J., Powers, J., Williams, L.
登録日1998-06-29
公開日1998-12-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
1BJV
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BETA-TRYPSIN COMPLEXED WITH APPU
分子名称:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
著者Presnell, S., Patil, G., Mura, C., Jude, K., Conley, J., Kam, C., Bertrand, J., Powers, J., Williams, L.
登録日1998-06-29
公開日1998-12-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
1QDD
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CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION
分子名称:LITHOSTATHINE, O-SIALIC ACID, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
著者Gerbaud, V., Pignol, D., Loret, E., Bertrand, J.A., Berland, Y., Fontecilla-Camps, J.C., Canselier, J.P., Gabas, N., Verdier, J.M.
登録日1999-05-20
公開日1999-05-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine.
J.Biol.Chem., 275, 2000
2UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称:PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE, ...
著者Bertrand, J., Fanchon, E., Dideberg, O.
登録日1999-02-23
公開日2000-02-25
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
3UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称:PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE, ...
著者Bertrand, J.A., Auger, G., Martin, L., Fanchon, E., Blanot, D., Le Beller, D., Van Heijenoort, J., Dideberg, O.
登録日1999-02-24
公開日2000-02-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
4UAG
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称:UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, SULFATE ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE, ...
著者Bertrand, J., Auger, G., Martin, L., Fanchon, E., Blanot, D., Le Beller, D., Van Heijenoort, J., Dideberg, O.
登録日1999-03-09
公開日2000-03-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
1EEH
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UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
分子名称:UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
著者Bertrand, J.A., Fanchon, E., Martin, L., Chantalat, L., Auger, G., Blanot, D., van Heijenoort, J., Dideberg, O.
登録日2000-01-31
公開日2001-01-17
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
1H8D
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X-RAY STRUCTURE OF THE HUMAN ALPHA-THROMBIN COMPLEX WITH A TRIPEPTIDE PHOSPHONATE INHIBITOR.
分子名称:THROMBIN, HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide
著者Skordalakes, E., Dodson, G.G., Green, D., Deadman, J.
登録日2001-02-01
公開日2001-02-26
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
1H8I
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X-RAY CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN WITH A TRIPEPTIDE PHOSPHONATE INHIBITOR.
分子名称:THROMBIN, HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide
著者Skordalakes, E., Dodson, G.G., Green, D., Deadman, J.
登録日2001-02-08
公開日2001-03-02
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
1GZ2
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CRYSTAL STRUCTURE OF THE OVOCLEIDIN-17 A MAJOR PROTEIN OF THE GALLUS GALLUS EGGSHELL CALCIFIED LAYER.
分子名称:OVOCLEIDIN-17
著者Reyes-Grajeda, J.P., Moreno, A., Romero, A.
登録日2002-05-13
公開日2003-05-22
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallization and Preliminary X-Ray Analysis of Ovocleidin-17 a Major Protein of the Gallus Gallus Eggshell Calcified Layer
Protein Pept.Lett., 9, 2002
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
1PYX
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GSK-3 BETA COMPLEXED WITH AMP-PNP
分子名称:Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Bertrand, J.A., Thieffine, S., Vulpetti, A., Cristiani, C., Valsasina, B., Knapp, S., Kalisz, H.M., Flocco, M.
登録日2003-07-09
公開日2003-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 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
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
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
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
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
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