7S94
 
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7S53
 | | Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A | | Descriptor: | Class A sortase, sortase A chimera | | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | | Deposit date: | 2021-09-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes.
Protein Sci., 31, 2022
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6LOD
 | | Cryo-EM structure of the air-oxidized photosynthetic alternative complex III from Roseiflexus castenholzii | | Descriptor: | Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ... | | Authors: | Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L. | | Deposit date: | 2020-01-05 | | Release date: | 2020-11-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Sci Adv, 6, 2020
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4EY7
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil | | Descriptor: | 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | | Deposit date: | 2012-05-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3509 Å) | | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
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4EZ3
 | | CDK2 in complex with NSC 134199 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-05-02 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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4F0Y
 | | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo | | Descriptor: | Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-05 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
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1HV1
 | | DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE | | Descriptor: | ENDO-1,4-BETA-XYLANASE | | Authors: | Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2001-01-05 | | Release date: | 2001-09-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase.
Biochemistry, 40, 2001
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4F29
 | | Quisqualate bound to the ligand binding domain of GluA3i | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-07 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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2FOG
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | Descriptor: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2G3K
 | | Crystal structure of the C-terminal domain of Vps28 | | Descriptor: | Vacuolar protein sorting-associated protein VPS28 | | Authors: | Pineda-Molina, E, Belrhali, H, Piefer, A.J, Akula, I, Bates, P, Weissenhorn, W. | | Deposit date: | 2006-02-20 | | Release date: | 2006-06-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The crystal structure of the C-terminal domain of Vps28 reveals a conserved surface required for Vps20 recruitment.
Traffic, 7, 2006
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1HYO
 | | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID | | Descriptor: | 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Bateman, R.L, Bhanumoorthy, P, Witte, J.F, McClard, R.W, Grompe, M, Timm, D.E. | | Deposit date: | 2001-01-21 | | Release date: | 2001-02-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanistic inferences from the crystal structure of fumarylacetoacetate hydrolase with a bound phosphorus-based inhibitor.
J.Biol.Chem., 276, 2001
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1HZ5
 | | CRYSTAL STRUCTURES OF THE B1 DOMAIN OF PROTEIN L FROM PEPTOSTREPTOCOCCUS MAGNUS, WITH A TYROSINE TO TRYPTOPHAN SUBSTITUTION | | Descriptor: | PROTEIN L, ZINC ION | | Authors: | O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J. | | Deposit date: | 2001-01-23 | | Release date: | 2001-04-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
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6QVO
 | | Crystal structure of human MTH1 in complex with N6-methyl-dAMP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S. | | Deposit date: | 2019-03-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
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4F2Q
 | | Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-08 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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1HZH
 | | CRYSTAL STRUCTURE OF THE INTACT HUMAN IGG B12 WITH BROAD AND POTENT ACTIVITY AGAINST PRIMARY HIV-1 ISOLATES: A TEMPLATE FOR HIV VACCINE DESIGN | | Descriptor: | IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN,Uncharacterized protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Saphire, E.O, Burton, D.R, Wilson, I.A. | | Deposit date: | 2001-01-24 | | Release date: | 2001-08-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a neutralizing human IGG against HIV-1: a template for vaccine design.
Science, 293, 2001
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1HZX
 | | CRYSTAL STRUCTURE OF BOVINE RHODOPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | | Authors: | Teller, D.C, Okada, T, Behnke, C.A, Palczewski, K, Stenkamp, R.E. | | Deposit date: | 2001-01-26 | | Release date: | 2001-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs).
Biochemistry, 40, 2001
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1I06
 | | CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH SEC-BUTYL-THIAZOLINE | | Descriptor: | 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, MAJOR URINARY PROTEIN I | | Authors: | Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V. | | Deposit date: | 2001-01-28 | | Release date: | 2001-02-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
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1I05
 | | CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH HYDROXY-METHYL-HEPTANONE | | Descriptor: | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE, CADMIUM ION, MAJOR URINARY PROTEIN I | | Authors: | Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V. | | Deposit date: | 2001-01-28 | | Release date: | 2001-02-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
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2FQ1
 | | Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ... | | Authors: | Drake, E.J, Nicolai, D.A, Gulick, A.M. | | Deposit date: | 2006-01-17 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Chem.Biol., 13, 2006
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2G3V
 | | Crystal structure of CagS (HP0534, Cag13) from Helicobacter pylori | | Descriptor: | (UNK)(UNK)(UNK)(UNK)(UNK)(MSE)(UNK), CAG pathogenicity island protein 13 | | Authors: | Cendron, L, Tasca, E, Angelini, A, Seydel, A, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2006-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CagS from helicobacter pylori
To be Published
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1I09
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2FOD
 | | Structure of porcine pancreatic elastase in 80% ethanol | | Descriptor: | CALCIUM ION, ETHANOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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4F1U
 | | Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ... | | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | | Deposit date: | 2012-05-07 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
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4FAS
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2FNT
 | | Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate. | | Descriptor: | ACETATE ION, NC-p1 substrate PEPTIDE, PHOSPHATE ION, ... | | Authors: | Prabu-Jeyabaln, M, Nalivaika, E.A, Schiffer, C.A. | | Deposit date: | 2006-01-11 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
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