4ZRW
 
 | | Structure of cow mincle complexed with trehalose | | Descriptor: | CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein | | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2015-05-12 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
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4TZR
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | | Descriptor: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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4NHS
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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4NHT
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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4NIJ
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-06 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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4ZWM
 | | 2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 | | Descriptor: | Ornithine aminotransferase, mitochondrial, putative, ... | | Authors: | Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-19 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | 2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
To Be Published
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3TRC
 | | Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii | | Descriptor: | PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TIB
 | | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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4ZU5
 | | Crystal structure of the QdtA 3,4-Ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, apo form | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, QdtA, THYMIDINE | | Authors: | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | Deposit date: | 2015-05-15 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
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5AD0
 | | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 11MER CHICKEN PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, 11MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Kaufman, J.F, Lea, S.M. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Complex of a B21 Chicken Mhc Class I Molecule and a 11mer Chicken Peptide
To be Published
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4ZXN
 | | Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HE protein, SODIUM ION, ... | | Authors: | Bakkers, M.J.G, Feitsma, L.J, Huizinga, E.G, de Groot, R.J. | | Deposit date: | 2015-05-20 | | Release date: | 2016-05-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of murine coronavirus hemagglutinin-esterases reveal structural basis for esterase substrate specificity
To Be Published
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5A8B
 | | Structure of a parallel dimer of the aureochrome 1a LOV domain from Phaeodactylum tricornutum | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Banerjee, A, Herman, E, Kottke, T, Essen, L.O. | | Deposit date: | 2015-07-14 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.791 Å) | | Cite: | Structure of a Native-Like Aureochrome 1A Lov Domain Dimer from Phaeodactylum Tricornutum.
Structure, 24, 2016
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5ABB
 | | Visualization of a polytopic membrane protein during SecY-mediated membrane insertion | | Descriptor: | GREEN-LIGHT ABSORBING PROTEORHODOPSIN, PROTEIN TRANSLOCASE SUBUNIT SECE, PROTEIN TRANSLOCASE SUBUNIT SECY | | Authors: | Bischoff, L, Wickles, S, Berninghausen, O, vanderSluis, E, Beckmann, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-08-19 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Visualization of a Polytopic Membrane Protein During Secy-Mediated Membrane Insertion.
Nat.Commun., 5, 2014
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5ACS
 | | Y233A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | | Descriptor: | GIM-1 PROTEIN, ZINC ION | | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | | Deposit date: | 2015-08-17 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
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1A3E
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2 | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ... | | Authors: | Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J. | | Deposit date: | 1998-01-21 | | Release date: | 1998-06-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
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5AEO
 | | Virulence-associated protein VapG from the intracellular pathogen Rhodococcus equi | | Descriptor: | POTASSIUM ION, R. EQUI VAPG PROTEIN | | Authors: | Okoko, T, Blagova, E.V, Whittingham, J.L, Dover, L.G, Wilkinson, A.J. | | Deposit date: | 2015-01-07 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterisation of the Virulence-Associated Protein Vapg from the Horse Pathogen Rhodococcus Equi.
Vet.Microbiol., 179, 2015
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4ZYB
 | | High resolution structure of M23 peptidase LytM with substrate analogue | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Grabowska, M, Jagielska, E, Czapinska, H, Bochtler, M, Sabala, I. | | Deposit date: | 2015-05-21 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High resolution structure of an M23 peptidase with a substrate analogue.
Sci Rep, 5, 2015
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5A08
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5A3C
 | | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD | | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
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4ZRV
 | | Structure of cow mincle CRD complexed with trehalose mono butyrate | | Descriptor: | 6-O-butanoyl-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2015-05-12 | | Release date: | 2016-05-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
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4ZXI
 | | Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M. | | Deposit date: | 2015-05-20 | | Release date: | 2015-12-30 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
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1ALJ
 | | ALKALINE PHOSPHATASE MUTANT (H412N) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ma, L, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-06-02 | | Release date: | 1995-11-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Escherichia coli alkaline phosphatase: X-ray structural studies of a mutant enzyme (His-412-->Asn) at one of the catalytically important zinc binding sites.
Protein Sci., 4, 1995
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1A3B
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1 | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ... | | Authors: | Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J. | | Deposit date: | 1998-01-20 | | Release date: | 1998-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
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198L
 | | THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | | Authors: | Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W. | | Deposit date: | 1995-11-06 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
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1A6C
 | | STRUCTURE OF TOBACCO RINGSPOT VIRUS | | Descriptor: | TOBACCO RINGSPOT VIRUS CAPSID PROTEIN | | Authors: | Johnson, J.E, Chandrasekar, V. | | Deposit date: | 1998-02-23 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The structure of tobacco ringspot virus: a link in the evolution of icosahedral capsids in the picornavirus superfamily.
Structure, 6, 1998
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