5JEU
 
 | | del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+ | | Descriptor: | BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
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7L71
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6RHH
 | | Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Third structure of the series with 315 KGy dose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2019-04-20 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
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5RDP
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 41 | | Descriptor: | Endothiapepsin | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RC7
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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2AYW
 | | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... | | Authors: | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | | Deposit date: | 2005-09-09 | | Release date: | 2006-01-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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485D
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7WPW
 | | The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-01-24 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic acid
To Be Published
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6TD8
 | | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | | Descriptor: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2019-11-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
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5TIF
 | | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | | Deposit date: | 2016-10-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
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2WNA
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5XSM
 | | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-14 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4LFS
 | | High resolution x-ray structure of racemic ShK toxin | | Descriptor: | CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK | | Authors: | Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H. | | Deposit date: | 2013-06-27 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
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6FJN
 | | Adenovirus species 26 knob protein, 0.97A | | Descriptor: | 1,2-ETHANEDIOL, Fiber | | Authors: | Rizkallah, P.J, Parker, A.L, Baker, A.T. | | Deposit date: | 2018-01-22 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions.
Nat Commun, 10, 2019
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4Q4G
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1XG0
 | | High resolution crystal structure of phycoerythrin 545 from the marine cryptophyte rhodomonas CS24 | | Descriptor: | 15,16-DIHYDROBILIVERDIN, B-phycoerythrin beta chain, CHLORIDE ION, ... | | Authors: | Doust, A.B, Marai, C.N.J, Harrop, S.J, Wilk, K.E, Curmi, P.M.G, Scholes, G.D. | | Deposit date: | 2004-09-16 | | Release date: | 2004-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Developing a structure-function model for the cryptophyte phycoerythrin 545 using ultrahigh resolution crystallography and ultrafast laser spectroscopy
J.Mol.Biol., 344, 2004
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4MTU
 | | beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum | | Descriptor: | Beta-alanyl-CoA:ammonia lyase 2, SULFATE ION, ZINC ION | | Authors: | Heine, A, Reuter, K. | | Deposit date: | 2013-09-20 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | High resolution crystal structure of Clostridium propionicum beta-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily.
Proteins, 82, 2014
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2NMZ
 | | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION | | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-10-23 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
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3U3H
 | | X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde | | Descriptor: | (2R)-propane-1,1,2,3-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, FORMIC ACID, ... | | Authors: | Allen, K.N, Silvaggi, N.R, Toteva, M.M, Richard, J.P. | | Deposit date: | 2011-10-05 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Binding Energy and Catalysis by d-Xylose Isomerase: Kinetic, Product, and X-ray Crystallographic Analysis of Enzyme-Catalyzed Isomerization of (R)-Glyceraldehyde.
Biochemistry, 50, 2011
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5XQV
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1F94
 | | THE 0.97 RESOLUTION STRUCTURE OF BUCANDIN, A NOVEL TOXIN ISOLATED FROM THE MALAYAN KRAIT | | Descriptor: | BUCANDIN | | Authors: | Kuhn, P, Deacon, A.M, Comoso, S, Rajaseger, G, Kini, R.M, Uson, I, Kolatkar, P.R. | | Deposit date: | 2000-07-06 | | Release date: | 2000-07-26 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The atomic resolution structure of bucandin, a novel toxin isolated from the Malayan krait, determined by direct methods.
Acta Crystallogr.,Sect.D, 56, 2000
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3EO6
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5RC2
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E11b | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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1G4I
 | | Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W. | | Deposit date: | 2000-10-27 | | Release date: | 2001-04-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution.
Acta Crystallogr.,Sect.D, 57, 2001
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3RCG
 | | Human cyclophilin D complexed with dimethylformamide | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | | Deposit date: | 2011-03-31 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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