6MVO
 
 | | HCV NS5B 1A Y316 bound to Compound 49 | | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6VLD
 | | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 bound to GDP and A2SGP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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, ASPARAGINE, Alpha-(1,6)-fucosyltransferase, ... | | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | | Deposit date: | 2020-01-23 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
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1MJ0
 | | SANK E3_5: an artificial Ankyrin repeat protein | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SANK E3_5 Protein, SULFATE ION | | Authors: | Kohl, A, Binz, H.K, Forrer, P, Stumpp, M.T, Plueckthun, A, Gruetter, M.G. | | Deposit date: | 2002-08-26 | | Release date: | 2003-01-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Designed to be stable: Crystal structure of a consensus ankyrin repeat protein
Proc.Natl.Acad.Sci.USA, 100, 2003
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4PLR
 | | Crystal Structures of Designed Armadillo Repeat Proteins: Implications of Construct Design and Crystallization Conditions on Overall Structure. | | Descriptor: | Arm00008, CALCIUM ION | | Authors: | Reichen, C, Madhurantakam, C, Plueckthun, A, Mittl, P. | | Deposit date: | 2014-05-19 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of designed armadillo repeat proteins: Implications of construct design and crystallization conditions on overall structure.
Protein Sci., 23, 2014
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4NJU
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir | | Descriptor: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, Protease | | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4PLD
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1MK8
 | | Crystal Structure of a Mutant Cytochrome c Peroxidase showing a Novel Trp-Tyr Covalent Cross-link | | Descriptor: | Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2002-08-28 | | Release date: | 2003-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
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4NK8
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3JBJ
 | | Cryo-EM reconstruction of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Kim, L.Y, Thompson, P.M, Lee, H.T, Pershad, M, Campbell, S.L, Alushin, G.M. | | Deposit date: | 2015-09-03 | | Release date: | 2015-11-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | The Structural Basis of Actin Organization by Vinculin and Metavinculin.
J.Mol.Biol., 428, 2016
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7AAW
 | | Thioredoxin Reductase from Bacillus cereus | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Shoor, M, Gudim, I, Hersleth, H.-P, Hammerstad, M. | | Deposit date: | 2020-09-04 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Thioredoxin reductase from Bacillus cereus exhibits distinct reduction and NADPH-binding properties.
Febs Open Bio, 11, 2021
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1MKQ
 | | Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2002-08-29 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
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6GNO
 | | Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA) | | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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6TNO
 | | Crystal structure of the human Arc N-lobe bound to stargazin | | Descriptor: | Arc_C domain-containing protein, Chains: B,D,F | | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | | Deposit date: | 2019-12-09 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc.
Biochem Biophys Rep, 26, 2021
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3JZ1
 | | Crystal structure of human thrombin mutant N143P in E:Na+ form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NITRATE ION, ... | | Authors: | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | | Deposit date: | 2009-09-22 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
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3KAD
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-(3-phenylpropanoyl)-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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4PPR
 | | Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1 | | Authors: | Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2014-02-27 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
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3K43
 | | Crystal structure of sCD-MPR mutant E19Q/K137M pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Cation-dependent mannose-6-phosphate receptor, ... | | Authors: | Olson, L.J, Sun, G, Bohnsack, R.N, Peterson, F.C, Dahms, N.M, Kim, J.J.P. | | Deposit date: | 2009-10-05 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Intermonomer interactions are essential for lysosomal enzyme binding by the cation-dependent mannose 6-phosphate receptor.
Biochemistry, 49, 2010
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6TI4
 | | SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/D-Serine/Lys230 gem diamine complex | | Descriptor: | (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | | Deposit date: | 2019-11-21 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of Y55S Serine Hydroxymethyltransferase variant from Streptococcus thermophilus in complex with gem-diamine intermediate of D-serine
To Be Published
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6MN0
 | | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ... | | Authors: | Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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1MLW
 | | Crystal structure of human tryptophan hydroxylase with bound 7,8-dihydro-L-biopterin cofactor and Fe(III) | | Descriptor: | 7,8-DIHYDROBIOPTERIN, FE (III) ION, Tryptophan 5-monooxygenase | | Authors: | Wang, L, Erlandsen, H, Haavik, J, Knappskog, P.M, Stevens, R.C. | | Deposit date: | 2002-08-31 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Three-dimensional structure of human tryptophan hydroxylase and its implications for the biosynthesis of the neurotransmitters serotonin and melatonin
Biochemistry, 41, 2002
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6H42
 | | crystal structure of the human TGT catalytic subunit QTRT1 | | Descriptor: | BROMIDE ION, CHLORIDE ION, GLUTAMIC ACID, ... | | Authors: | Johannsson, S, Neumann, P, Ficner, R. | | Deposit date: | 2018-07-20 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1.
Biomolecules, 8, 2018
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6ZSM
 | | Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the ON state (non-illuminated) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-07-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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4NL5
 | | Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide | | Descriptor: | ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ... | | Authors: | Morse, R.P, Chao, A, Goulding, C.W. | | Deposit date: | 2013-11-13 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
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6MPY
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4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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