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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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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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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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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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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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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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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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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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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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
 | | 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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1H1C
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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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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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1E6H
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1H8K
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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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1QKX
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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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4OO9
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ... | | Authors: | Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H. | | Deposit date: | 2014-01-31 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
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5JRN
 | | Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution | | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside | | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2016-05-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.841 Å) | | Cite: | Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
To Be Published
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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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6QXM
 | | Cryo-EM structure of T7 bacteriophage portal protein, 12mer, open 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: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 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
 | | 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
 | | 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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