4YX7
 
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5DF1
 | | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid | | Descriptor: | (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ... | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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4YMD
 | | CL-K1 trimer bound to man(alpha1-2)man | | Descriptor: | CALCIUM ION, Collectin-11, GLYCEROL, ... | | Authors: | Wallis, R, Venkatraman Girija, U, Gingras, A.R, Moody, P.C.E, Marshall, J.E. | | Deposit date: | 2015-03-06 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Molecular basis of sugar recognition by collectin-K1 and the effects of mutations associated with 3MC syndrome.
Bmc Biol., 13, 2015
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6ELC
 | | Crystal Structure of O-linked Glycosylated VSG3 | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, 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: | Stebbins, C.E. | | Deposit date: | 2017-09-28 | | Release date: | 2018-07-11 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | African trypanosomes evade immune clearance by O-glycosylation of the VSG surface coat.
Nat Microbiol, 3, 2018
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5CPN
 | | Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mAc) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone, Xenobiotic reductase | | Authors: | Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S. | | Deposit date: | 2015-07-21 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
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6QPJ
 | | Human CLOCK PAS-A domain | | Descriptor: | Circadian locomoter output cycles protein kaput | | Authors: | Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J. | | Deposit date: | 2019-02-14 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | Heme binding to human CLOCK affects interactions with the E-box.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6RB9
 | | The pore structure of Clostridium perfringens epsilon toxin | | Descriptor: | Epsilon-toxin type B | | Authors: | Savva, C.G, Clark, A.R, Naylor, C.E, Popoff, M.R, Moss, D.S, Basak, A.K, Titball, R.W, Bokori-Brown, M. | | Deposit date: | 2019-04-09 | | Release date: | 2019-06-19 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The pore structure of Clostridium perfringens epsilon toxin.
Nat Commun, 10, 2019
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6F1D
 | | CUB2 domain of C1r | | Descriptor: | CALCIUM ION, Complement C1r subcomponent, SODIUM ION | | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6D3H
 | | FT_T dioxygenase with bound dichlorprop | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6CUV
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | | Descriptor: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | Deposit date: | 2018-03-26 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5E7C
 | | Macromolecular diffractive imaging using imperfect crystals - Bragg data | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | | Deposit date: | 2015-10-12 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
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6XC9
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Tresoldi, M.C.E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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1YER
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1YET
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6RJ8
 | | Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2019-04-26 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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1NDU
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5E7W
 | | X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom | | Descriptor: | ACETATE ION, Insulin, N-PROPANOL, ... | | Authors: | Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C. | | Deposit date: | 2015-10-13 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.9519 Å) | | Cite: | Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
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1ZVW
 | | The Crystal Structure of TrpD (Rv2192c) from Mycobacterium tuberculosis in Complex with PRPP and Magnesium | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, BENZAMIDINE, ... | | Authors: | Lee, C.E, Lott, J.S, Baker, E.N, Arcus, V.L, Javid-Majd, F, Goodfellow, C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-06-02 | | Release date: | 2006-01-17 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of TrpD, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate.
J.Mol.Biol., 355, 2006
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6F9Q
 | | Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+ | | Descriptor: | 7S-cis-cis-nepetalactol cyclase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lichman, B.R, Kamileen, M.O, Titchiner, G, Saalbach, G, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2017-12-15 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis.
Nat. Chem. Biol., 15, 2019
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2ACU
 | | TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME | | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D. | | Deposit date: | 1994-04-15 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme.
Biochemistry, 33, 1994
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5E79
 | | Macromolecular diffractive imaging using imperfect crystals | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | | Deposit date: | 2015-10-12 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
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6F1H
 | | C1rC1s complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[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, CALCIUM ION, ... | | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | Deposit date: | 2017-11-22 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F8J
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide | | Descriptor: | 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | Deposit date: | 2017-12-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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6F96
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(4-methoxyphenyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | | Descriptor: | 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | Deposit date: | 2017-12-14 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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5DCY
 | | Iridoid synthase G150A mutant from Catharanthus roseus - binary complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-24 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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