4Y5L
| Endothiapepsin in its apo form | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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1HHZ
| Deglucobalhimycin in complex with cell wall pentapeptide | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, CELL WALL PEPTIDE, DEGLUCOBALHIMYCIN, ... | Authors: | Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L. | Deposit date: | 2000-12-29 | Release date: | 2003-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors J.Mol.Biol., 318, 2002
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3VIG
| Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with 1-deoxynojirimycin | Descriptor: | 1-DEOXYNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2011-10-03 | Release date: | 2012-07-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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3X2H
| X-ray structure of PcCel45A N92D with cellopentaose at 95K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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2Y61
| Crystal structure of Leishmanial E65Q-TIM complexed with S-Glycidol phosphate | Descriptor: | GLYCEROL, SN-GLYCEROL-1-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, ... | Authors: | Venkatesan, R, Alahuhta, M, Pihko, P.M, Wierenga, R.K. | Deposit date: | 2011-01-19 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High resolution crystal structures of triosephosphate isomerase complexed with its suicide inhibitors: the conformational flexibility of the catalytic glutamate in its closed, liganded active site. Protein Sci., 20, 2011
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3Q46
| Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D. | Deposit date: | 2010-12-23 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction. Acta Crystallogr.,Sect.F, 68, 2012
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5CMT
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4AQO
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3LEP
| Human Aldose Reductase mutant T113C in complex with IDD388 | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | Authors: | Koch, C, Heine, A, Klebe, G. | Deposit date: | 2010-01-15 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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4IAU
| Atomic resolution structure of Geodin, a beta-gamma crystallin from Geodia cydonium | Descriptor: | Beta-gamma-crystallin, CALCIUM ION, GLYCEROL | Authors: | Vergara, A, Grassi, M, Sica, F, Mazzarella, L, Merlino, A. | Deposit date: | 2012-12-07 | Release date: | 2013-06-05 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | A novel interdomain interface in crystallins: structural characterization of the [beta][gamma]-crystallin from Geodia cydonium at 0.99 A resolution Acta Crystallogr.,Sect.D, 69, 2013
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1MNZ
| Atomic structure of Glucose isomerase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Nowak, E, Panjikar, S, Tucker, P.A. | Deposit date: | 2002-09-06 | Release date: | 2002-09-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Atomic structure of Glucose isomerase To be published
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4J5E
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.99 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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2FOU
| Human Carbonic Anhydrase II complexed with two-prong inhibitors | Descriptor: | COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ... | Authors: | Jude, K.M, Christianson, D.W. | Deposit date: | 2006-01-14 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
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1ZF5
| GCT duplex B-DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-19 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2FWH
| atomic resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form at pH7) | Descriptor: | DI(HYDROXYETHYL)ETHER, IODIDE ION, Thiol:disulfide interchange protein dsbD | Authors: | Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Boeckmann, R.A, Glockshuber, R, Capitani, G, Gruetter, M.G. | Deposit date: | 2006-02-02 | Release date: | 2006-06-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study J.Mol.Biol., 358, 2006
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7B1S
| Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum at 0.994-A resolution | Descriptor: | (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | Deposit date: | 2020-11-25 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.992 Å) | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation. Science, 373, 2021
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3I30
| Proteinase K by Classical hanging drop Method after high X-Ray dose on ID14-2 Beamline at ESRF | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | Deposit date: | 2009-06-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.992 Å) | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals To be Published
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3I37
| Proteinase K by LB Nanotemplate Method before high X-Ray dose on ID14-2 Beamline at ESRF | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | Deposit date: | 2009-06-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.995 Å) | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals To Be Published
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3I2Y
| Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | Deposit date: | 2009-06-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.995 Å) | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals To be Published
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5N9H
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4X5P
| Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | Descriptor: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.997 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4NDS
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4Y27
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5JDK
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5R2G
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 03, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.998 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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