6TXA
 
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXE
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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5A6L
 | | High resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with two xylobiose units bound | | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Freire, F, Verma, A.K, Bule, P, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2015-06-30 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
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5AHN
 | | IMP-bound form of the D199N mutant of IMPDH from Pseudomonas aeruginosa | | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MAGNESIUM ION | | Authors: | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | | Deposit date: | 2015-02-06 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Acta Crystallogr.,Sect.D, 71, 2015
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5A6I
 | | V122I Transthyretin structure in complex with Tolcalpone | | Descriptor: | TRANSTHYRETIN, Tolcapone | | Authors: | Reverter, D, Gallego, P, Santana, R, Ventura, S. | | Deposit date: | 2015-06-26 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity
Nat.Commun., 7, 2016
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6ZW0
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1VIF
 | | STRUCTURE OF DIHYDROFOLATE REDUCTASE | | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | | Authors: | Narayana, N, Matthews, D.A, Howell, E.E, Xuong, N.-H. | | Deposit date: | 1996-10-03 | | Release date: | 1997-10-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site.
Nat.Struct.Biol., 2, 1995
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1VLN
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1W07
 | | Arabidopsis thaliana acyl-CoA oxidase 1 | | Descriptor: | ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Henriksen, A, Pedersen, L. | | Deposit date: | 2004-06-01 | | Release date: | 2004-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism
J.Mol.Biol., 345, 2005
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4ZTX
 | | Neurospora crassa cobalamin-independent methionine synthase complexed with Zn2+ | | Descriptor: | Cobalamin-Independent Methionine synthase, GLYCEROL, NITRATE ION, ... | | Authors: | Wheatley, R.W, Ng, K.K, Kapoor, M. | | Deposit date: | 2015-05-15 | | Release date: | 2015-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa.
Arch.Biochem.Biophys., 590, 2015
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7YZH
 | | Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-02-20 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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5A7I
 | | Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate | | Descriptor: | Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
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1WN5
 | | Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Cacodylic Acid | | Descriptor: | Blasticidin-S deaminase, CACODYLATE ION, ZINC ION | | Authors: | Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T. | | Deposit date: | 2004-07-27 | | Release date: | 2005-10-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
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2FXU
 | | X-ray Structure of Bistramide A- Actin Complex at 1.35 A resolution. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Rizvi, S.A, Tereshko, V, Kossiakoff, A.A, Kozmin, S.A. | | Deposit date: | 2006-02-06 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of bistramide a-actin complex at a 1.35 A resolution
J.Am.Chem.Soc., 128, 2006
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5ADH
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6LGE
 | | Bombyx mori GH13 sucrose hydrolase complexed with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Miyazaki, T. | | Deposit date: | 2019-12-05 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases.
J.Biol.Chem., 295, 2020
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4HNU
 | | crystal structure of K442E mutant of S. aureus Pyruvate carboxylase | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Yu, L.P.C, Tong, L. | | Deposit date: | 2012-10-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
Biochemistry, 52, 2013
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4HNT
 | | crystal structure of F403A mutant of S. aureus Pyruvate carboxylase | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yu, L.P.C, Tong, L. | | Deposit date: | 2012-10-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
Biochemistry, 52, 2013
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1VIE
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7YOM
 | | Crystal structure of tetra mutant (D67E,A68P,L98I,A301S) of O-acetylserine sulfhydrylase from Salmonella typhimurium in complex with high-affinity inhibitory peptide from serine acetyltransferase of Salmonella typhimurium at 2.8 A | | Descriptor: | Cysteine synthase, peptide from serine acetyltransferase | | Authors: | Saini, N, Kumar, N, Rahisuddin, R, Singh, A.K. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of I88L single mutant of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with high-affinity inhibitory peptide from serine acetyltransferase of Salmonella typhimurium at 2.14 A
To Be Published
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2GEB
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5IQG
 | | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GDP, Magnesium, and Gentamicin C1 | | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Caldwell, S.J, Berghuis, A.M. | | Deposit date: | 2016-03-10 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
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1WVG
 | | Structure of CDP-D-glucose 4,6-dehydratase from Salmonella typhi | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CDP-glucose 4,6-dehydratase, CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE | | Authors: | Koropatkin, N.M, Holden, H.M. | | Deposit date: | 2004-12-15 | | Release date: | 2005-01-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of CDP-D-glucose 4,6-dehydratase from Salmonella typhi complexed with CDP-D-xylose.
Acta Crystallogr.,Sect.D, 61, 2005
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6Y2M
 | | Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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6Y2T
 | | Streptavidin wildtype with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | GLYCEROL, Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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