6DZV
 
 | | Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6DYM
 | | C-terminal condensation domain of Ebony | | Descriptor: | CALCIUM ION, Ebony | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DZZ
 | | Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Yang, D, Coleman, J.A, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6DYR
 | | C-terminal condensation domain of Ebony in complex with Carcinine | | Descriptor: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6DZW
 | | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6E9R
 | | DHF46 filament | | Descriptor: | DHF46 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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6FZT
 | | Crystal structure of Smad8_9-MH1 bound to the GGCGC site. | | Descriptor: | DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), GLYCEROL, Mothers against decapentaplegic homolog 9, ... | | Authors: | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | | Deposit date: | 2018-03-15 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes
Computational and Structural Biotechnology Journal, 19, 2021
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4C75
 | | Consensus (ALL-CON) beta-lactamase class A | | Descriptor: | ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2013-09-19 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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4C94
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | | Authors: | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | Deposit date: | 2013-10-02 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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4C6Y
 | | Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A | | Descriptor: | ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | Deposit date: | 2013-09-19 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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1YPT
 | | CRYSTAL STRUCTURE OF YERSINIA PROTEIN TYROSINE PHOSPHATASE AT 2.5 ANGSTROMS AND THE COMPLEX WITH TUNGSTATE | | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE YERSINIA (CATALYTIC DOMAIN) | | Authors: | Stuckey, J.A, Schubert, H.L, Fauman, E.B, Zhang, Z.-Y, Dixon, J.E, Saper, M.A. | | Deposit date: | 1994-09-16 | | Release date: | 1994-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Yersinia protein tyrosine phosphatase at 2.5 A and the complex with tungstate.
Nature, 370, 1994
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6GJF
 | | Ancestral endocellulase Cel5A | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ... | | Authors: | Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N. | | Deposit date: | 2018-05-16 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis
Commun Chem, 2019
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6GU6
 | | CDK1/Cks2 in complex with Dinaciclib | | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GVL
 | | Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | | Descriptor: | Dystonin, Integrin beta-4 | | Authors: | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | | Deposit date: | 2018-06-21 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
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6GHZ
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1I6O
 | | CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | | Authors: | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | | Deposit date: | 2001-03-02 | | Release date: | 2001-05-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity.
Protein Sci., 10, 2001
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1X6M
 | | Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
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1XA8
 | | Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa) | | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ... | | Authors: | Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S. | | Deposit date: | 2004-08-25 | | Release date: | 2004-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
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1G2Y
 | | HNF-1ALPHA DIMERIZATION DOMAIN, WITH SELENOMETHIONINE SUBSTITUED AT LEU 12 | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | | Authors: | Rose, R.B, Endrizzi, J.A, Cronk, J.D, Holton, J, Alber, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution structure of the HNF-1alpha dimerization domain.
Biochemistry, 39, 2000
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4CJN
 | | Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand | | Descriptor: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | | Deposit date: | 2013-12-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
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1EC8
 | | E. COLI GLUCARATE DEHYDRATASE BOUND TO PRODUCT 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE | | Descriptor: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, ... | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2000-01-25 | | Release date: | 2000-05-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli.
Biochemistry, 39, 2000
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1EMH
 | | CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO UNCLEAVED SUBSTRATE-CONTAINING DNA | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*(P2U)P*AP*TP*CP*TP*T)-3'), URACIL-DNA GLYCOSYLASE | | Authors: | Parikh, S.S, Slupphaug, G, Krokan, H.E, Blackburn, G.M, Tainer, J.A. | | Deposit date: | 2000-03-16 | | Release date: | 2000-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Uracil-DNA glycosylase-DNA substrate and product structures: conformational strain promotes catalytic efficiency by coupled stereoelectronic effects.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1I6P
 | | CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | | Authors: | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | | Deposit date: | 2001-03-02 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity.
Protein Sci., 10, 2001
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1EM1
 | | X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A | | Descriptor: | MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE, SULFATE ION | | Authors: | Leveque, V, Stroupe, M.E, Lepock, J.R, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | | Deposit date: | 2000-03-14 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Multiple replacements of glutamine 143 in human manganese superoxide dismutase: effects on structure, stability, and catalysis.
Biochemistry, 39, 2000
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2BDZ
 | | Mexicain from Jacaratia mexicana | | Descriptor: | Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | | Authors: | Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M. | | Deposit date: | 2005-10-21 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic structure of Mexicain from Jacaratia mexicana
To be Published
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