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2XE0
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BU of 2xe0 by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
Descriptor: 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ...
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:2023-12-20
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
5LVL
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BU of 5lvl by Molmil
Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site
Descriptor: 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ...
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:2024-01-17
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
5LVP
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BU of 5lvp by Molmil
Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
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
5LVN
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BU of 5lvn by Molmil
Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ...
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:2024-01-17
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
5LVM
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BU of 5lvm by Molmil
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:2024-01-17
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
5LVO
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BU of 5lvo by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket
Descriptor: 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, 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:2024-01-17
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
8A4Y
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BU of 8a4y by Molmil
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with N-(2,3-dihydro-1H-inden-5-yl)acetamide
Descriptor: Host translation inhibitor nsp1, N-(2,3-dihydro-1H-inden-5-yl)acetamide
Authors:Borsatto, A, Galdadas, I, Ma, S, Damfo, S, Haider, S, Kozielski, F, Estarellas, C, Gervasio, F.L.
Deposit date:2022-06-13
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.099 Å)
Cite:Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other beta-coronaviruses by simulations and crystallography.
Elife, 11, 2022
5AM7
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BU of 5am7 by Molmil
FGFR1 mutant with an inhibitor
Descriptor: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1
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:2024-01-10
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
5AM6
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BU of 5am6 by Molmil
Native FGFR1 with an inhibitor
Descriptor: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1
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:2024-01-10
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
3ZM9
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BU of 3zm9 by Molmil
The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor
Descriptor: 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA
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:2023-12-20
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
3ZDT
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BU of 3zdt by Molmil
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:2023-12-20
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
4AAB
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BU of 4aab by Molmil
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: 10MER DNA 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP*GP*AP)-3', 14MER DNA 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP)-3', DNA ENDONUCLEASE I-CREI, ...
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:2023-12-20
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
4AAF
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BU of 4aaf by Molmil
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: 1,2-ETHANEDIOL, 24MER DNA, DNA ENDONUCLEASE I-CREI
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:2023-12-20
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
4AAE
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BU of 4aae by Molmil
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: 24MER DNA, DNA ENDONUCLEASE I-CREI
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:2023-12-20
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
4AAD
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BU of 4aad by Molmil
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: 24MER DNA, DNA ENDONUCLEASE I-CREI, 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:2023-12-20
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
4CYE
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BU of 4cye by Molmil
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:2023-12-20
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
4UWY
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BU of 4uwy by Molmil
FGFR1 Apo structure
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1
Authors:Thiyagarajan, N, Bunney, T, Katan, M.
Deposit date:2014-08-15
Release date:2015-02-25
Last modified:2024-01-10
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
8A8M
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BU of 8a8m by Molmil
Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
Authors:Bowler, M.W, Juyoux, P, Pellegrini, E.
Deposit date:2022-06-23
Release date:2022-07-13
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
4J23
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BU of 4j23 by Molmil
Low resolution crystal structure of the FGFR2D2D3/FGF1/SR128545 complex
Descriptor: Fibroblast growth factor 1, Fibroblast growth factor receptor 2
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:2023-09-20
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
4AAG
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BU of 4aag by Molmil
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: 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, DNA ENDONUCLEASE I-CREI
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:2023-12-20
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
7Z1T
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BU of 7z1t by Molmil
Connexin43 gap junction channel structure in digitonin
Descriptor: Gap junction alpha-1 protein
Authors:Qi, C, Korkhov, M.V.
Deposit date:2022-02-25
Release date:2023-03-08
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.26 Å)
Cite:Structure of the connexin-43 gap junction channel in a putative closed state.
Elife, 12, 2023
7Z22
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BU of 7z22 by Molmil
Connexin43 gap junction channel structure in nanodisc
Descriptor: Gap junction alpha-1 protein
Authors:Qi, C, Korkhov, M.V.
Deposit date:2022-02-25
Release date:2023-03-08
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure of the connexin-43 gap junction channel in a putative closed state.
Elife, 12, 2023
7Z23
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BU of 7z23 by Molmil
Connexin43 hemi channel in nanodisc
Descriptor: Gap junction alpha-1 protein
Authors:Qi, C, Korkhov, M.V.
Deposit date:2022-02-25
Release date:2023-03-08
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structure of the connexin-43 gap junction channel in a putative closed state.
Elife, 12, 2023
5ETI
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BU of 5eti by Molmil
Structure of dead kinase MAPK14
Descriptor: Mitogen-activated protein kinase 14
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2015-11-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
5ETC
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BU of 5etc by Molmil
Structure of inactive MAPK14 with ordered Activation Loop
Descriptor: Mitogen-activated protein kinase 14, SULFATE ION
Authors:Kapp, U, Pellegrini, E, Bowler, M.W.
Deposit date:2015-11-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.422 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023

 

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