5UGU
 
 | | Crystal structure of M. tuberculosis InhA inhibited by PT506 | | Descriptor: | 2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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5U08
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-23 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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4H59
 | | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-09-18 | | Release date: | 2012-10-03 | | Last modified: | 2016-05-04 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane
To be Published
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3JCL
 | | Cryo-electron microscopy structure of a coronavirus spike glycoprotein trimer | | Descriptor: | Spike glycoprotein | | Authors: | Walls, A.C, Tortorici, M.A, Bosch, B.J, Frenz, B, Rottier, P.J.M, DiMaio, F, Rey, F.A, Veesler, D. | | Deposit date: | 2015-12-21 | | Release date: | 2016-02-03 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-electron microscopy structure of a coronavirus spike glycoprotein trimer.
Nature, 531, 2016
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5UEN
 | | Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution | | Descriptor: | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride, Adenosine receptor A1,Soluble cytochrome b562,Adenosine receptor A1, OLEIC ACID | | Authors: | Glukhova, A, Thal, D.M, Nguyen, A.T, Vecchio, E.A, Jorg, M, Scammells, P.J, May, L.T, Sexton, P.M, Christopoulos, A. | | Deposit date: | 2017-01-03 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity.
Cell, 168, 2017
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4PEI
 | | Dbr1 in complex with synthetic branched RNA analog | | Descriptor: | GLYCEROL, NICKEL (II) ION, RNA (5'-R(*(G46)P*U)-3'), ... | | Authors: | Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J. | | Deposit date: | 2014-04-23 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
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5UF8
 | | Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Potential ADP-ribosylation factor | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-01-03 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Crystal structure of the ARF family small GTPase ARF2 from Candida albicans in complex with GDP
To Be Published
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4GW4
 | | Crystal structure of 3BNC60 Fab with P61A mutation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC60 Fab Heavy-chain, 3BNC60 Fab Light-chain | | Authors: | Diskin, R, Fu, B.Z, Bjorkman, P.J. | | Deposit date: | 2012-08-31 | | Release date: | 2013-04-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Somatic Mutations of the Immunoglobulin Framework Are Generally Required for Broad and Potent HIV-1 Neutralization.
Cell(Cambridge,Mass.), 153, 2013
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5UG1
 | | Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct | | Descriptor: | Acyltransferase, SODIUM ION, methanesulfonic acid | | Authors: | Sychantha, D, Jones, C, Little, D.J, Moynihan, P.J, Robinson, H, Galley, N.F, Roper, D.I, Dowson, C.G, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-10-25 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | In vitro characterization of the antivirulence target of Gram-positive pathogens, peptidoglycan O-acetyltransferase A (OatA).
PLoS Pathog., 13, 2017
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1NM9
 | | Crystal structure of recombinant human salivary amylase mutant W58A | | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase, ... | | Authors: | Ramasubbu, N, Ragunath, C, Mishra, P.J, Thomas, L.M. | | Deposit date: | 2003-01-09 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
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4PHK
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids. The complex with (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid | | Descriptor: | (Z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid, CALCIUM ION, Calpain small subunit 1 | | Authors: | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B, Robinson, E. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
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1NPL
 | | MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM DAFFODIL (NARCISSUS PSEUDONARCISSUS) BULBS IN COMPLEX WITH MANNOSE-ALPHA1,3-MANNOSE | | Descriptor: | PHOSPHATE ION, PROTEIN (AGGLUTININ), alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose | | Authors: | Sauerborn, M.K, Wright, L.M, Reynolds, C.D, Grossmann, J.G, Rizkallah, P.J. | | Deposit date: | 1998-12-17 | | Release date: | 1998-12-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into carbohydrate recognition by Narcissus pseudonarcissus lectin: the crystal structure at 2 A resolution in complex with alpha1-3 mannobiose.
J.Mol.Biol., 290, 1999
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7C1I
 | | Crystal structure of histidine-containing phosphotransfer protein B (HptB) from Pseudomonas aeruginosa PAO1 | | Descriptor: | Histidine kinase | | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | | Deposit date: | 2020-05-04 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa
Iucrj, 7, 2020
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4HFH
 | | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
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4PEG
 | | Dbr1 in complex with guanosine-5'-monophosphate | | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J. | | Deposit date: | 2014-04-23 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
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5UC7
 | | Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, D(-)-TARTARIC ACID | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.835 Å) | | Cite: | Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex
To Be Published
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3DZW
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6FUQ
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1P5P
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4PEH
 | | Dbr1 in complex with synthetic linear RNA | | Descriptor: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(*CP*UP*AP*(A2P)P*AP*CP*AP*A)-3'), ... | | Authors: | Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J. | | Deposit date: | 2014-04-23 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
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6G7C
 | | Nt2-CTD domains of the TssA component from the type VI secretion system of Aeromonas hydrophila. | | Descriptor: | ImpA-related domain protein | | Authors: | Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-04-05 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
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1P97
 | | NMR structure of the C-terminal PAS domain of HIF2a | | Descriptor: | Endothelial PAS domain protein 1 | | Authors: | Erbel, P.J, Card, P.B, Karakuzu, O, Bruick, R.K, Gardner, K.H. | | Deposit date: | 2003-05-09 | | Release date: | 2004-01-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for PAS domain heterodimerization in the basic helix-loop-helix-PAS transcription factor hypoxia-inducible factor.
Proc.Natl.Acad.Sci.USA, 100, 2003
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3KBF
 | | C. elegans Cu,Zn Superoxide Dismutase | | Descriptor: | COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase
To be Published
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3F34
 | | Apoferritin: complex with 2,6-diethylphenol | | Descriptor: | 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ... | | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2008-10-30 | | Release date: | 2009-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
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5TX2
 | | Miniature TGF-beta2 3-mutant monomer | | Descriptor: | Transforming growth factor beta-2 | | Authors: | Taylor, A.B, Kim, S.K, Hart, P.J, Hinck, A.P. | | Deposit date: | 2016-11-15 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | An engineered transforming growth factor beta (TGF-beta ) monomer that functions as a dominant negative to block TGF-beta signaling.
J. Biol. Chem., 292, 2017
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