3AKQ
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5DZE
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![BU of 5dze by Molmil](/molmil-images/mine/5dze) | Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with cellotetraose | Descriptor: | beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, endo-glucanase | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | Deposit date: | 2015-09-25 | Release date: | 2016-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases. Plant J., 89, 2017
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4OO4
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5D99
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![BU of 5d99 by Molmil](/molmil-images/mine/5d99) | 3DW4 redetermined by direct methods starting from random phase angles | Descriptor: | GLYCEROL, RNA (27-MER) hairpin from sarcin-ricin domain of E. coli 23S rRNA | Authors: | Mooers, B.H.M. | Deposit date: | 2015-08-18 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Direct-methods structure determination of a trypanosome RNA-editing substrate fragment with translational pseudosymmetry. Acta Crystallogr D Struct Biol, 72, 2016
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3U3H
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![BU of 3u3h by Molmil](/molmil-images/mine/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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1YWB
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![BU of 1ywb by Molmil](/molmil-images/mine/1ywb) | 0.9 A Structure of NP4 from Rhodnius Prolixus complexed with NO at pH 5.6 | Descriptor: | NITRIC OXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R. | Deposit date: | 2005-02-17 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes Biochemistry, 44, 2005
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5RDS
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![BU of 5rds by Molmil](/molmil-images/mine/5rds) | PanDDA analysis group deposition -- Endothiapepsin ground state model 49 | 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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7SPX
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![BU of 7spx by Molmil](/molmil-images/mine/7spx) | Crystal structure of photoactive yellow protein (PYP); F28oCNF construct | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | Authors: | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | Deposit date: | 2021-11-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments. J.Am.Chem.Soc., 144, 2022
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3GOE
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![BU of 3goe by Molmil](/molmil-images/mine/3goe) | Molecular Mimicry of SUMO promotes DNA repair | Descriptor: | CALCIUM ION, DNA repair protein rad60 | Authors: | Perry, J.J.P. | Deposit date: | 2009-03-19 | Release date: | 2009-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Molecular mimicry of SUMO promotes DNA repair. Nat.Struct.Mol.Biol., 16, 2009
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5RE1
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![BU of 5re1 by Molmil](/molmil-images/mine/5re1) | PanDDA analysis group deposition -- Endothiapepsin ground state model 58 | 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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5HQI
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![BU of 5hqi by Molmil](/molmil-images/mine/5hqi) | Insulin with proline analog HzP at position B28 in the T2 state | Descriptor: | Insulin A-Chain, Insulin B-Chain | Authors: | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
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4E0K
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![BU of 4e0k by Molmil](/molmil-images/mine/4e0k) | Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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8GEW
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![BU of 8gew by Molmil](/molmil-images/mine/8gew) | H-FABP crystal soaked in a bromo palmitic acid solution | Descriptor: | 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ... | Authors: | Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M. | Deposit date: | 2023-03-07 | Release date: | 2023-08-30 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation. Proteins, 91, 2023
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6QLR
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![BU of 6qlr by Molmil](/molmil-images/mine/6qlr) | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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3LL2
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8B34
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1M1Q
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![BU of 1m1q by Molmil](/molmil-images/mine/1m1q) | P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1 | Descriptor: | HEME C, SULFATE ION, small tetraheme cytochrome c | Authors: | Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J. | Deposit date: | 2002-06-20 | Release date: | 2002-08-14 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c J.Biol.Chem., 277, 2002
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5RCS
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![BU of 5rcs by Molmil](/molmil-images/mine/5rcs) | PanDDA analysis group deposition -- Endothiapepsin ground state model 14 | 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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8GK9
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![BU of 8gk9 by Molmil](/molmil-images/mine/8gk9) | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-AIB-ALA-AIB-LEU-CYS-GLN-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-03-17 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
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5RDF
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![BU of 5rdf by Molmil](/molmil-images/mine/5rdf) | PanDDA analysis group deposition -- Endothiapepsin ground state model 37 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, 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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3LL1
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7FYV
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![BU of 7fyv by Molmil](/molmil-images/mine/7fyv) | Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-8-carboxylic acid | Descriptor: | (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid, 1,2-ETHANEDIOL, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Wickens, J, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7P24
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7A7Y
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6XUM
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![BU of 6xum by Molmil](/molmil-images/mine/6xum) | Human Aldose Reductase Mutant L300/301A 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: | 2020-01-20 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Human Aldose Reductase Mutant L300/301A 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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