3TJ2
 
 | | Structure of a novel submicromolar MDM2 inhibitor | | Descriptor: | 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, POTASSIUM ION | | Authors: | Wolf, S, Huang, Y, Popowicz, G.M, Goda, S, Holak, T.A, Doemling, A. | | Deposit date: | 2011-08-23 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ugi Multicomponent Reaction Derived p53-Mdm2 Antagonists
To be published
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2WJL
 | | Bacteriorhodopsin mutant E194D | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Potschies, M, Wolf, S, Freier, E, Hofmann, E, Gerwert, K. | | Deposit date: | 2009-05-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
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3TU1
 | | Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist | | Descriptor: | 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1H-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Wolf, S, Huang, Y, Koes, D, Popowicz, G.M, Camacho, C.J, Holak, T.A, Doemling, A. | | Deposit date: | 2011-09-15 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Exhaustive Fluorine Scanning toward Potent p53-Mdm2 Antagonists.
Chemmedchem, 7, 2012
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3LBL
 | | Structure of human MDM2 protein in complex with Mi-63-analog | | Descriptor: | (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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3LBK
 | | Structure of human MDM2 protein in complex with a small molecule inhibitor | | Descriptor: | 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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3LBJ
 | | Structure of human MDMX protein in complex with a small molecule inhibitor | | Descriptor: | N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, Protein Mdm4, SULFATE ION | | Authors: | Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A. | | Deposit date: | 2010-01-08 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
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1X90
 | | Crystal structure of mutant form B of a pectin methylesterase inhibitor from Arabidopsis | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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1X8Z
 | | Crystal structure of a pectin methylesterase inhibitor from Arabidopsis thaliana | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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1X91
 | | Crystal structure of mutant form A of a pectin methylesterase inhibitor from Arabidopsis | | Descriptor: | invertase/pectin methylesterase inhibitor family protein | | Authors: | Hothorn, M, Wolf, S, Aloy, P, Greiner, S, Scheffzek, K. | | Deposit date: | 2004-08-19 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into the target specificity of plant invertase and pectin methylesterase inhibitory proteins
Plant Cell, 16, 2004
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5LRL
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875 | | Descriptor: | 2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-19 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations.
J.Chem.Inf.Model., 59, 2019
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2WJK
 | | Bacteriorhodopsin mutant E204D | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Potschies, M, Hofmann, E, Gerwert, K. | | Deposit date: | 2009-05-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
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6FCJ
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3FDO
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4MDN
 | | Structure of a novel submicromolar MDM2 inhibitor | | Descriptor: | 3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Bista, M, Popowicz, G, Holak, T.A. | | Deposit date: | 2013-08-23 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
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4MDQ
 | | Structure of a novel submicromolar MDM2 inhibitor | | Descriptor: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Bista, M, Popowicz, G, Holak, T.A. | | Deposit date: | 2013-08-23 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
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5I8O
 | | HMM5 Fab in complex with disaccharide | | Descriptor: | HMM5 antibody heavy chain, HMM5 antibody light chain, alpha-L-fucopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | | Authors: | Andersen, G.R, Tjerrild, L.M, Spillner, E. | | Deposit date: | 2016-02-19 | | Release date: | 2016-03-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of HMM5 Fab with a bound disaccharide
To be published
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3G03
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