6W4H
 
 | | 1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2 | | Descriptor: | 2'-O-methyltransferase, ACETATE ION, Non-structural protein 10, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-10 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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3U8T
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-Cys | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | Deposit date: | 2011-10-17 | | Release date: | 2012-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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6XNJ
 | | Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8 | | Descriptor: | Golgi-associated PDZ and coiled-coil motif-containing protein, NleG8 peptide, SULFATE ION | | Authors: | Stogios, P.J, Skarina, T, Popov, G, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8
To Be Published
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6RSC
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1KWM
 | | Human procarboxypeptidase B: Three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI) | | Descriptor: | CITRIC ACID, Procarboxypeptidase B, ZINC ION | | Authors: | Pereira, P.J.B, Segura-Martin, S, Ferrer-Orta, C, Vendrell, J, Aviles, F.-X, Coll, M, Gomis-Rueth, F.-X. | | Deposit date: | 2002-01-30 | | Release date: | 2002-06-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Human procarboxypeptidase B: three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI).
J.Mol.Biol., 321, 2002
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3U8O
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | Deposit date: | 2011-10-17 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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1IGR
 | | Type 1 Insulin-like growth factor receptor (DOMAINS 1-3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, INSULIN-LIKE GROWTH FACTOR RECEPTOR 1, ... | | Authors: | Garrett, T.P.J, Mckern, N.M, Lou, M, Frenkel, M.J, Bentley, J.D, Lovrecz, G.O, Elleman, T.C, Cosgrove, L.J, Ward, C.W. | | Deposit date: | 1998-09-28 | | Release date: | 1999-09-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the first three domains of the type-1 insulin-like growth factor receptor.
Nature, 394, 1998
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3U66
 | | Crystal structure of T6SS SciP/TssL from Escherichia Coli Enteroaggregative 042 | | Descriptor: | GLYCEROL, Putative type VI secretion protein | | Authors: | Durand, E, Aschtgen, M.S, Zoued, A, Spinelli, S, Watson, P.J.H, Cambillau, C, Cascales, E. | | Deposit date: | 2011-10-12 | | Release date: | 2012-03-07 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural characterization and oligomerization of the TssL protein, a component shared by bacterial type VI and type IVb secretion systems.
J.Biol.Chem., 287, 2012
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1MOX
 | | Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Zhu, H.-J, Walker, F, Frenkel, M.J, Hoyne, P.A, Jorissen, R.N, Nice, E.C, Burgess, A.W, Ward, C.W. | | Deposit date: | 2002-09-10 | | Release date: | 2003-09-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor alpha
Cell(Cambridge,Mass.), 110, 2002
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3V4R
 | | Crystal structure of a UvrB dimer-DNA complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA: 5 -TACTGTTT-3, UvrABC system protein B | | Authors: | Webster, M.P.J, Jukes, R, Barrett, T. | | Deposit date: | 2011-12-15 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of the UvrB dimer: insights into the nature and functioning of the UvrAB damage engagement and UvrB-DNA complexes.
Nucleic Acids Res., 40, 2012
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4D1C
 | | STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH bromovinylhydantoin bound. | | Descriptor: | (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | | Authors: | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1.
Embo J., 33, 2014
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3E26
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1E95
 | | Solution structure of the pseudoknot of SRV-1 RNA, involved in ribosomal frameshifting | | Descriptor: | RNA (5'-(*GP*CP*GP*GP*CP*CP*AP*GP*CP*UP*CP* CP*AP*GP*GP*CP*CP*GP*CP*CP*AP*AP*AP*CP* AP*AP*UP*AP*UP*GP*GP*AP*GP*CP*AP*C)-3') | | Authors: | Michiels, P.J.A, Versleyen, A, Pleij, C.W.A, Hilbers, C.W, Heus, H.A. | | Deposit date: | 2000-10-09 | | Release date: | 2001-08-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Pseudoknot of Srv-1 RNA, Involved in Ribosomal Frameshifting
J.Mol.Biol., 310, 2001
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4E05
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4E06
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2V6H
 | | Crystal structure of the C1 domain of cardiac myosin binding protein-C | | Descriptor: | MYOSIN-BINDING PROTEIN C, CARDIAC-TYPE | | Authors: | Govata, L, Carpenter, L, Da Fonseca, P.C.A, Helliwell, J.R, Rizkallah, P.J, Flashman, E, Chayen, N.E, Redwood, C, Squire, J.M. | | Deposit date: | 2007-07-18 | | Release date: | 2008-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the C1 domain of cardiac myosin binding protein-C: implications for hypertrophic cardiomyopathy.
J. Mol. Biol., 378, 2008
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5IR0
 | | Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant | | Descriptor: | CITRIC ACID, Uncharacterized protein ORF19 | | Authors: | Stogios, P.J, Wawrzak, Z, Skarina, T, Di Leo, R, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (3.297 Å) | | Cite: | Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant
To Be Published
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1AP2
 | | SINGLE CHAIN FV OF C219 | | Descriptor: | MONOCLONAL ANTIBODY C219 | | Authors: | Hoedemaeker, P.J, Rose, D.R. | | Deposit date: | 1997-07-23 | | Release date: | 1997-12-24 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A single chain Fv fragment of P-glycoprotein-specific monoclonal antibody C219. Design, expression, and crystal structure at 2.4 A resolution.
J.Biol.Chem., 272, 1997
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3E25
 | | Crystal structure of M. tuberculosis glucosyl-3-phosphoglycerate synthase | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, Putative uncharacterized protein, ... | | Authors: | Pereira, P.J.B, Empadinhas, N, Costa, M.S, Macedo-Ribeiro, S. | | Deposit date: | 2008-08-05 | | Release date: | 2008-12-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mycobacterium tuberculosis glucosyl-3-phosphoglycerate synthase: structure of a key enzyme in methylglucose lipopolysaccharide biosynthesis
Plos One, 3, 2008
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5JD3
 | | Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | | Authors: | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | To be published
To Be Published
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5JD4
 | | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Xu, X, Alcaide, M, Yim, V, Cui, H, Martinez-Martinez, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
To Be Published
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1PI5
 | | Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | | Deposit date: | 2003-05-29 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
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3OO0
 | | Structure of apo CheY A113P | | Descriptor: | AMMONIUM ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Pazy, Y, Collins, E.J, Guanga, G.P, Miller, P.J, Immormino, R.M, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2010-08-30 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring the effect of an allosteric site on conformational coupling in CheY
To be Published
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1PI4
 | | Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ... | | Authors: | Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K. | | Deposit date: | 2003-05-29 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
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3F1Y
 | | Mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mannosyl-3-phosphoglycerate synthase | | Authors: | Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S. | | Deposit date: | 2008-10-28 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
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