1HD3
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![BU of 1hd3 by Molmil](/molmil-images/mine/1hd3) | A-SPECTRIN SH3 DOMAIN F52Y MUTANT | Descriptor: | GLYCEROL, SPECTRIN ALPHA CHAIN, SULFATE ION | Authors: | Vega, M.C, Viguera, A.R, Serrano, L. | Deposit date: | 2000-11-06 | Release date: | 2001-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unspecific Hydrophobic Stabilization of Folding Transition States Proc.Natl.Acad.Sci.USA, 99, 2002
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1GTI
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![BU of 1gti by Molmil](/molmil-images/mine/1gti) | MODIFIED GLUTATHIONE S-TRANSFERASE (PI) COMPLEXED WITH S (P-NITROBENZYL)GLUTATHIONE | Descriptor: | GLUTATHIONE S-TRANSFERASE, S-(P-NITROBENZYL)GLUTATHIONE | Authors: | Vega, M.C, Coll, M. | Deposit date: | 1998-01-09 | Release date: | 1999-03-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The three-dimensional structure of Cys-47-modified mouse liver glutathione S-transferase P1-1. Carboxymethylation dramatically decreases the affinity for glutathione and is associated with a loss of electron density in the alphaB-310B region. J.Biol.Chem., 273, 1998
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1H1C
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![BU of 1h1c by Molmil](/molmil-images/mine/1h1c) | |
2WJZ
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![BU of 2wjz by Molmil](/molmil-images/mine/2wjz) | Crystal structure of (HisH) K181A Y138A mutant of imidazoleglycerolphosphate synthase (HisH HisF) which displays constitutive glutaminase activity | Descriptor: | IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISF, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISH, PHOSPHATE ION | Authors: | Vega, M.C, List, F, Razeto, A, Haeger, M.C, Babinger, K, Kuper, J, Sterner, R, Wilmanns, M. | Deposit date: | 2009-06-02 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site. Chem.Biol., 19, 2012
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1H8K
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![BU of 1h8k by Molmil](/molmil-images/mine/1h8k) | |
3ZR4
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![BU of 3zr4 by Molmil](/molmil-images/mine/3zr4) | STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX | Descriptor: | GLUTAMINE, GLYCEROL, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF, ... | Authors: | Vega, M.C, Kuper, J, Haeger, M.C, Mohrlueder, J, Marquardt, S, Sterner, R, Wilmanns, M. | Deposit date: | 2011-06-13 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site. Chem.Biol., 19, 2012
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1BAY
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![BU of 1bay by Molmil](/molmil-images/mine/1bay) | GLUTATHIONE S-TRANSFERASE YFYF CYS 47-CARBOXYMETHYLATED CLASS PI, FREE ENZYME | Descriptor: | GLUTATHIONE S-TRANSFERASE CLASS PI | Authors: | Vega, M.C, Coll, M. | Deposit date: | 1996-11-02 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of Cys-47-modified mouse liver glutathione S-transferase P1-1. Carboxymethylation dramatically decreases the affinity for glutathione and is associated with a loss of electron density in the alphaB-310B region. J.Biol.Chem., 273, 1998
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264D
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![BU of 264d by Molmil](/molmil-images/mine/264d) | THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE A-TRACT DNA DODECAMER D(CGCAAATTTGCG) COMPLEXED WITH THE MINOR-GROOVE-BINDING DRUG HOECHST 33258 | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | Authors: | Vega, M.C, Garcia-Saez, I, Aymami, J, Eritja, R, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Coll, M. | Deposit date: | 1994-09-22 | Release date: | 1995-03-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Three-dimensional crystal structure of the A-tract DNA dodecamer d(CGCAAATTTGCG) complexed with the minor-groove-binding drug Hoechst 33258. Eur.J.Biochem., 222, 1994
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1E7O
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![BU of 1e7o by Molmil](/molmil-images/mine/1e7o) | A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V44I, V58L MUTATIONS | Descriptor: | GLYCEROL, SPECTRIN ALPHA CHAIN | Authors: | Vega, M.C, Serrano, L. | Deposit date: | 2000-08-31 | Release date: | 2003-05-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Thermodynamic and Kinetic Analysis of the Folding Pathway of an SH3 Domain Entropically Stabilised by a Redesigned Hydrophobic Core J.Mol.Biol., 328, 2003
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1E6H
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![BU of 1e6h by Molmil](/molmil-images/mine/1e6h) | |
1E6G
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![BU of 1e6g by Molmil](/molmil-images/mine/1e6g) | A-SPECTRIN SH3 DOMAIN A11V, V23L, M25I, V53I, V58L MUTANT | Descriptor: | SPECTRIN ALPHA CHAIN, SULFATE ION | Authors: | Vega, M.C, Serrano, L. | Deposit date: | 2000-08-15 | Release date: | 2002-05-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design Nat.Struct.Biol., 9, 2002
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1UUE
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![BU of 1uue by Molmil](/molmil-images/mine/1uue) | a-SPECTRIN SH3 DOMAIN (V44T, D48G MUTANT) | Descriptor: | SPECTRIN ALPHA CHAIN | Authors: | Vega, M.C, Fernandez, A, Wilmanns, M, Serrano, L. | Deposit date: | 2003-12-18 | Release date: | 2004-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Solvation in Protein Folding Analysis: Combination of Theoretical and Experimental Approaches Proc.Natl.Acad.Sci.USA, 101, 2004
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1UU1
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![BU of 1uu1 by Molmil](/molmil-images/mine/1uu1) | Complex of Histidinol-phosphate aminotransferase (HisC) from Thermotoga maritima (Apo-form) | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, HISTIDINOL-PHOSPHATE AMINOTRANSFERASE, PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER | Authors: | Vega, M.C, Fernandez, F.J, Lehman, F, Wilmanns, M. | Deposit date: | 2003-12-12 | Release date: | 2004-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Studies of the Catalytic Reaction Pathway of a Hyperthermophilic Histidinol-Phosphate Aminotransferase J.Biol.Chem., 279, 2004
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1QKX
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![BU of 1qkx by Molmil](/molmil-images/mine/1qkx) | |
1QKW
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![BU of 1qkw by Molmil](/molmil-images/mine/1qkw) | Alpha-spectrin Src Homology 3 domain, N47G mutant in the distal loop. | Descriptor: | ALPHA II SPECTRIN, GLYCEROL, SULFATE ION | Authors: | Vega, M.C, Martinez, J, Serrano, L. | Deposit date: | 1999-08-16 | Release date: | 2000-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamic and structural characterization of Asn and Ala residues in the disallowed II' region of the Ramachandran plot. Protein Sci., 9, 2000
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1UU2
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![BU of 1uu2 by Molmil](/molmil-images/mine/1uu2) | Histidinol-phosphate aminotransferase (HisC) from Thermotoga maritima (apo-form) | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, HISTIDINOL-PHOSPHATE AMINOTRANSFERASE | Authors: | Vega, M.C, Fernandez, F.J, Lehmann, F, Wilmanns, M. | Deposit date: | 2003-12-13 | Release date: | 2004-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Studies of the Catalytic Reaction Pathway of a Hyperthermophilic Histidinol-Phosphate Aminotransferase J.Biol.Chem., 279, 2004
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1USY
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![BU of 1usy by Molmil](/molmil-images/mine/1usy) | ATP phosphoribosyl transferase (HisG:HisZ) complex from Thermotoga maritima | Descriptor: | ATP PHOSPHORIBOSYLTRANSFERASE, ATP PHOSPHORIBOSYLTRANSFERASE REGULATORY SUBUNIT, HISTIDINE, ... | Authors: | Vega, M.C, Fernandez, F.J, Murphy, G.E, Zou, P, Popov, A, Wilmanns, M. | Deposit date: | 2003-12-01 | Release date: | 2004-12-15 | Last modified: | 2014-09-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Regulation of the Hetero-Octameric ATP Phosphoribosyl Transferase Complex from Thermotoga Maritima by a tRNA Synthetase-Like Subunit. Mol.Microbiol., 55, 2005
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1UU0
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![BU of 1uu0 by Molmil](/molmil-images/mine/1uu0) | Histidinol-phosphate aminotransferase (HisC) from Thermotoga maritima (Apo-form) | Descriptor: | HISTIDINOL-PHOSPHATE AMINOTRANSFERASE, PHOSPHATE ION | Authors: | Vega, M.C, Fernandez, F.J, Lehmann, F, Wilmanns, M. | Deposit date: | 2003-12-12 | Release date: | 2004-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Studies of the Catalytic Reaction Pathway of a Hyperthermophilic Histidinol-Phosphate Aminotransferase J.Biol.Chem., 279, 2004
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1WAA
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![BU of 1waa by Molmil](/molmil-images/mine/1waa) | IG27 protein domain | Descriptor: | TITIN, ZINC ION | Authors: | Vega, M.C, Valencia, L, Zou, P, Wilmanns, M. | Deposit date: | 2004-10-25 | Release date: | 2006-07-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanical Network in Titin Immunoglobulin from Force Distribution Analysis. Plos Comput.Biol., 5, 2009
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5FT4
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![BU of 5ft4 by Molmil](/molmil-images/mine/5ft4) | Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution | Descriptor: | CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ... | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | Deposit date: | 2016-01-11 | Release date: | 2016-12-21 | Last modified: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model Acs Catalysis, 6, 2016
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6QX5
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![BU of 6qx5 by Molmil](/molmil-images/mine/6qx5) | Crystal structure of T7 bacteriophage portal protein, 12mer, closed valve | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism. Nat Commun, 10, 2019
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5CGD
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![BU of 5cgd by Molmil](/molmil-images/mine/5cgd) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242) | Descriptor: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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5CGC
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![BU of 5cgc by Molmil](/molmil-images/mine/5cgc) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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5NQ6
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![BU of 5nq6 by Molmil](/molmil-images/mine/5nq6) | Crystal structure of the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE from Escherichia coli at 2.40 Angstrom Resolution | Descriptor: | GLYCEROL, SULFATE ION, Sulfur acceptor protein CsdE | Authors: | Penya-Soler, E, Aranda, J, Lopez-Estepa, M, Gomez, S, Garces, F, Coll, M, Fernandez, F.J, Vega, M.C. | Deposit date: | 2017-04-19 | Release date: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE. PLoS ONE, 12, 2017
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6QWP
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![BU of 6qwp by Molmil](/molmil-images/mine/6qwp) | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Machon, C, Fernandez, F.J, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-03-06 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structures of T7 bacteriophage portal and tail suggest a viral DNA retention and ejection mechanism. Nat Commun, 10, 2019
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