Author results

2XE0
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MOLECULAR BASIS OF ENGINEERED MEGANUCLEASE TARGETING OF THE ENDOGENOUS HUMAN RAG1 LOCUS
Descriptor:I-CREI V2V3 VARIANT, 24MER DNA, ACETATE ION, ...
Authors:Munoz, I.G., Prieto, J., Subramanian, S., Coloma, J., Redondo, P., Villate, M., Merino, N., Marenchino, M., D'Abramo, M., Gervasio, F.L., Grizot, S., Daboussi, F., Smith, J., Chion-Sotine, I., Paques, F., Duchateau, P., Alibes, A., Stricher, F., Serrano, L., Blanco, F.J., Montoya, G.
Deposit date:2010-05-10
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus
Nucleic Acids Res., 39, 2011
3ZDT
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CRYSTAL STRUCTURE OF BASIC PATCH MUTANT FAK FERM DOMAIN FAK31- 405 K216A, K218A, R221A, K222A
Descriptor:FOCAL ADHESION KINASE 1
Authors:Goni, G.M., Epifano, C., Boskovic, J., Camacho-Artacho, M., Zhou, J., Martin, M.T., Eck, M.J., Kremer, L., Graeter, F., Gervasio, F.L., Perez-Moreno, M., Lietha, D.
Deposit date:2012-11-30
Release date:2012-12-12
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZM9
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THE MECHANISM OF ALLOSTERIC COUPLING IN CHOLINE KINASE A1 REVEALED BY A RATIONALLY DESIGNED INHIBITOR
Descriptor:CHOLINE KINASE ALPHA, 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium
Authors:Sahun-Roncero, M., Rubio-Ruiz, B., Saladino, G., Conejo-Garcia, A., Espinosa, A., Velazquez-Campoy, A., Gervasio, F.L., Entrena, A., Hurtado-Guerrero, R.
Deposit date:2013-02-06
Release date:2013-02-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
4AAB
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CRYSTAL STRUCTURE OF THE MUTANT D75N I-CREI IN COMPLEX WITH ITS WILD- TYPE TARGET (THE FOUR CENTRAL BASES, 2NN REGION, ARE COMPOSED BY GTAC FROM 5' TO 3')
Descriptor:DNA ENDONUCLEASE I-CREI, 14MER DNA 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP)-3', 10MER DNA 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP*GP*AP)-3', ...
Authors:Molina, R., Redondo, P., Stella, S., Marenchino, M., D'Abramo, M., Gervasio, F.L., Epinat, J.C., Valton, J., Grizot, S., Duchateau, P., Prieto, J., Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4AAD
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CRYSTAL STRUCTURE OF THE MUTANT D75N I-CREI IN COMPLEX WITH ITS WILD- TYPE TARGET IN ABSENCE OF METAL IONS AT THE ACTIVE SITE (THE FOUR CENTRAL BASES, 2NN REGION, ARE COMPOSED BY GTAC FROM 5' TO 3')
Descriptor:DNA ENDONUCLEASE I-CREI, 24MER DNA, GLYCEROL
Authors:Molina, R., Redondo, P., Stella, S., Marenchino, M., D'Abramo, M., Gervasio, F.L., Epinat, J.C., Valton, J., Grizot, S., Duchateau, P., Prieto, J., Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4AAE
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CRYSTAL STRUCTURE OF THE MUTANT D75N I-CREI IN COMPLEX WITH AN ALTERED TARGET (THE FOUR CENTRAL BASES, 2NN REGION, ARE COMPOSED BY AGCG FROM 5' TO 3')
Descriptor:DNA ENDONUCLEASE I-CREI, 24MER DNA
Authors:Molina, R., Redondo, P., Stella, S., Marenchino, M., D'Abramo, M., Gervasio, F.L., Epinat, J.C., Valton, J., Grizot, S., Duchateau, P., Prieto, J., Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4AAF
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CRYSTAL STRUCTURE OF THE MUTANT D75N I-CREI IN COMPLEX WITH AN ALTERED TARGET (THE FOUR CENTRAL BASES, 2NN REGION, ARE COMPOSED BY TGCA FROM 5' TO 3')
Descriptor:DNA ENDONUCLEASE I-CREI, 24MER DNA, 1,2-ETHANEDIOL
Authors:Molina, R., Redondo, P., Stella, S., Marenchino, M., D'Abramo, M., Gervasio, F.L., Epinat, J.C., Valton, J., Grizot, S., Duchateau, P., Prieto, J., Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4CYE
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CRYSTAL STRUCTURE OF AVIAN FAK FERM DOMAIN FAK31-405 AT 3.2A
Descriptor:FOCAL ADHESION KINASE 1
Authors:Goni, G.M., Epifano, C., Boskovic, J., Camacho-Artacho, M., Zhou, J., Martin, M.T., Eck, M.J., Kremer, L., Graeter, F., Gervasio, F.L., Perez-Moreno, M., Lietha, D.
Deposit date:2014-04-10
Release date:2014-04-23
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
5AM6
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NATIVE FGFR1 WITH AN INHIBITOR
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1, CHLORIDE ION, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
Authors:Bunney, T.D., Wan, S., Thiyagarajan, N., Sutto, L., Williams, S.V., Ashford, P., Koss, H., Knowles, M.A., Gervasio, F.L., Coveney, P.V., Katan, M.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
5AM7
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FGFR1 MUTANT WITH AN INHIBITOR
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION
Authors:Bunney, T.D., Wan, S., Thiyagarajan, N., Sutto, L., Williams, S.V., Ashford, P., Koss, H., Knowles, M.A., Gervasio, F.L., Coveney, P.V., Katan, M.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
5LVL
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HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH COMPOUND PS653 BOUND TO THE ATP-BINDING SITE
Descriptor:3-phosphoinositide-dependent protein kinase 1, 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, DITHIANE DIOL, ...
Authors:Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Suess, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVM
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HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH ADENINE BOUND TO THE ATP-BINDING SITE
Descriptor:3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL
Authors:Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Suess, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVN
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HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH ADENOSINE BOUND TO THE ATP-BINDING SITE
Descriptor:3-phosphoinositide-dependent protein kinase 1, DITHIANE DIOL, ADENOSINE, ...
Authors:Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Suess, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVO
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HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH ALLOSTERIC COMPOUND PSE10 BOUND TO THE PIF-POCKET
Descriptor:3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, ...
Authors:Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Suess, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
5LVP
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HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH AN HM-PEPTIDE BOUND TO THE PIF-POCKET
Descriptor:3-phosphoinositide-dependent protein kinase 1, hydrophobic-motif peptide of PKB/Akt, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Schulze, J.O., Saladino, G., Busschots, K., Neimanis, S., Suess, E., Odadzic, D., Zeuzem, S., Hindie, V., Herbrand, A.K., Lisa, M.N., Alzari, P.M., Gervasio, F.L., Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
4AAG
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CRYSTAL STRUCTURE OF THE MUTANT D75N I-CREI IN COMPLEX WITH ITS WILD- TYPE TARGET IN PRESENCE OF CA AT THE ACTIVE SITE (THE FOUR CENTRAL BASES, 2NN REGION, ARE COMPOSED BY GTAC FROM 5' TO 3')
Descriptor:DNA ENDONUCLEASE I-CREI, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP *GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', CALCIUM ION
Authors:Molina, R., Redondo, P., Stella, S., Marenchino, M., D'Abramo, M., Gervasio, F., Epinat, J.C., Valton, J., Grizot, S., Duchateau, P., Prieto, J., Montoya, G.
Deposit date:2011-12-01
Release date:2012-05-02
Last modified:2012-08-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
3MX9
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MOLECULAR BASIS OF ENGINEERED MEGANUCLEASE TARGETING OF THE ENDOGENOUS HUMAN RAG1 LOCUS
Descriptor:Protein scV3V2(G19S), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), ...
Authors:Munoz, I.G., Prieto, J., Subramanian, S., Coloma, J., Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3MXA
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MOLECULAR BASIS OF ENGINEERED MEGANUCLEASE TARGETING OF THE ENDOGENOUS HUMAN RAG1 LOCUS
Descriptor:scV3V2(G19S), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
Authors:Munoz, I.G., Prieto, J., Subramanian, S., Coloma, J., Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3MXB
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MOLECULAR BASIS OF ENGINEERED MEGANUCLEASE TARGETING OF THE ENDOGENOUS HUMAN RAG1 LOCUS
Descriptor:V3(E8K), V2(K7E-G19S), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
Authors:Munoz, I.G., Prieto, J., Subramanian, S., Coloma, J., Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
4J23
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LOW RESOLUTION CRYSTAL STRUCTURE OF THE FGFR2D2D3/FGF1/SR128545 COMPLEX
Descriptor:Fibroblast growth factor receptor 2, Fibroblast growth factor 1
Authors:Kudlinzki, D., Saxena, K., Sreeramulu, S., Schieborr, U., Dreyer, M., Schreuder, H., Schwalbe, H.
Deposit date:2013-02-04
Release date:2014-02-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.882 Å)
Cite:Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling.
Cancer Cell, 23, 2013
4UWY
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FGFR1 APO STRUCTURE
Descriptor:FIBROBLAST GROWTH FACTOR RECEPTOR 1, DI(HYDROXYETHYL)ETHER, CHLORIDE ION
Authors:Thiyagarajan, N., Bunney, T., Katan, M.
Deposit date:2014-08-15
Release date:2015-02-25
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015