6D5L
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![BU of 6d5l by Molmil](/molmil-images/mine/6d5l) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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5CLL
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![BU of 5cll by Molmil](/molmil-images/mine/5cll) | Truncated Ran wild type in complex with GDP-BeF and RanBD1 | Descriptor: | BERYLLIUM TRIFLUORIDE ION, E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, ... | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-16 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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4IUM
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![BU of 4ium by Molmil](/molmil-images/mine/4ium) | Equine arteritis virus papain-like protease 2 (PLP2) covalently bound to ubiquitin | Descriptor: | GLYCEROL, Ubiquitin, ZINC ION, ... | Authors: | Bailey-Elkin, B.A, James, T.W, Mark, B.L. | Deposit date: | 2013-01-21 | Release date: | 2013-02-13 | Last modified: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Deubiquitinase function of arterivirus papain-like protease 2 suppresses the innate immune response in infected host cells. Proc.Natl.Acad.Sci.USA, 110, 2013
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6T7V
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![BU of 6t7v by Molmil](/molmil-images/mine/6t7v) | KEAP1 IN COMPLEX WITH PEPTIDE 8 | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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6FY5
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![BU of 6fy5 by Molmil](/molmil-images/mine/6fy5) | Crystal structure of the macro domain of human macroh2a2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2 | Authors: | Hothorn, M. | Deposit date: | 2018-03-10 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms. EMBO Rep., 19, 2018
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4KTE
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![BU of 4kte by Molmil](/molmil-images/mine/4kte) | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | Descriptor: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | Authors: | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-05 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
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6RPD
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![BU of 6rpd by Molmil](/molmil-images/mine/6rpd) | Structure of ferrous KpDyP in complex with cyanide | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-14 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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5DX0
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![BU of 5dx0 by Molmil](/molmil-images/mine/5dx0) | |
5DXJ
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![BU of 5dxj by Molmil](/molmil-images/mine/5dxj) | Crystal structure of CARM1 and sinefungin | Descriptor: | GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-09-23 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
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5DWQ
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6RR5
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![BU of 6rr5 by Molmil](/molmil-images/mine/6rr5) | Structure of 50% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6FIY
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![BU of 6fiy by Molmil](/molmil-images/mine/6fiy) | Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP) | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Hofbauer, S, Mlynek, G. | Deposit date: | 2018-01-19 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09000432 Å) | Cite: | Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage. J. Biol. Chem., 293, 2018
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6TEO
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![BU of 6teo by Molmil](/molmil-images/mine/6teo) | Crystal structure of a yeast Snu114-Prp8 complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-splicing factor 8, ... | Authors: | Ganichkin, O, Jia, J, Loll, B, Absmeier, E, Wahl, M.C. | Deposit date: | 2019-11-12 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Snu114-GTP-Prp8 module forms a relay station for efficient splicing in yeast. Nucleic Acids Res., 48, 2020
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6FKT
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5AGR
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![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5CSW
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![BU of 5csw by Molmil](/molmil-images/mine/5csw) | B-RAF in complex with Dabrafenib | Descriptor: | CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf | Authors: | Bader, G, Stadtmuller, H, Steurer, S. | Deposit date: | 2015-07-23 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol.Cancer Ther., 15, 2016
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5CSX
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![BU of 5csx by Molmil](/molmil-images/mine/5csx) | CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370 | Descriptor: | N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf, alpha-D-glucopyranose | Authors: | Bader, G, Stadtmuller, H, Steurer, S. | Deposit date: | 2015-07-23 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol.Cancer Ther., 15, 2016
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3P45
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![BU of 3p45 by Molmil](/molmil-images/mine/3p45) | Crystal structure of apo-caspase-6 at physiological pH | Descriptor: | caspase-6 | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | Deposit date: | 2010-10-06 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structures of active and inhibitor-bound human Casp6 To be Published
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6WPW
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![BU of 6wpw by Molmil](/molmil-images/mine/6wpw) | GCGR-Gs signaling complex bound to a designed glucagon derivative | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | Deposit date: | 2020-04-28 | Release date: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into differences in G protein activation by family A and family B GPCRs. Science, 369, 2020
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5CIW
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![BU of 5ciw by Molmil](/molmil-images/mine/5ciw) | Ran GDP Y39A mutant monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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2KUZ
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![BU of 2kuz by Molmil](/molmil-images/mine/2kuz) | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*TP*TP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*AP*AP*AP*CP*GP*TP*CP*G)-3') | Authors: | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | Deposit date: | 2010-03-03 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 2-aminopurine incorporation perturbs the dynamics and structure of DNA. Angew.Chem.Int.Ed.Engl., 49, 2010
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5CIQ
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![BU of 5ciq by Molmil](/molmil-images/mine/5ciq) | Ran GDP wild type tetragonal crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CIT
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![BU of 5cit by Molmil](/molmil-images/mine/5cit) | Ran GDP wild type monoclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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1I5I
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![BU of 1i5i by Molmil](/molmil-images/mine/1i5i) | THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN | Descriptor: | (GAMMA-B) CRYSTALLIN | Authors: | Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B. | Deposit date: | 2001-02-27 | Release date: | 2001-03-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin. J.Mol.Biol., 314, 2001
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1D62
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![BU of 1d62 by Molmil](/molmil-images/mine/1d62) | |