7DC4
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![BU of 7dc4 by Molmil](/molmil-images/mine/7dc4) | Crystal structure of glycan-bound Pseudomonas taiwanensis lectin | Descriptor: | Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose | Authors: | Oda, K, Matoba, Y. | Deposit date: | 2020-10-23 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity. J.Biol.Chem., 296, 2021
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4Z8J
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4EGU
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![BU of 4egu by Molmil](/molmil-images/mine/4egu) | 0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION, ZINC ION, ... | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-01 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | 0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile To be Published
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1MXT
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![BU of 1mxt by Molmil](/molmil-images/mine/1mxt) | Atomic resolution structure of Cholesterol oxidase (Streptomyces sp. SA-COO) | Descriptor: | CHOLESTEROL OXIDASE, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, ... | Authors: | Vrielink, A, Lario, P.I. | Deposit date: | 2002-10-03 | Release date: | 2003-02-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Sub-atomic resolution crystal structure of cholesterol oxidase:
What atomic resolution crystallography reveals about enzyme mechanism and the role of FAD cofactor in redox activity J.Mol.Biol., 326, 2003
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6RI8
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![BU of 6ri8 by Molmil](/molmil-images/mine/6ri8) | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by fluoride anions at sub-atomic resolution. Third structure of the series with 800 KGy dose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, FLUORIDE ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-23 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 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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6Y5S
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![BU of 6y5s by Molmil](/molmil-images/mine/6y5s) | Crystal structure of savinase at cryogenic conditions | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | Deposit date: | 2020-02-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis. Peerj, 8, 2020
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7ASQ
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8I50
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![BU of 8i50 by Molmil](/molmil-images/mine/8i50) | Crystal structure of DNA octamer containing GuNA[Me,Me] | Descriptor: | DNA (5'-D(*GP*(OIQ)P*GP*(BRU)P*AP*CP*AP*C)-3') | Authors: | Aoyama, H, Obika, S, Yamaguchi, T. | Deposit date: | 2023-01-21 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids. Nucleic Acids Res., 51, 2023
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2XOM
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![BU of 2xom by Molmil](/molmil-images/mine/2xom) | Atomic resolution structure of TmCBM61 in complex with beta-1,4- galactotriose | Descriptor: | ARABINOGALACTAN ENDO-1,4-BETA-GALACTOSIDASE, CALCIUM ION, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Cid, M, Lodberg-Pedersen, H, Kaneko, S, Coutinho, P.M, Henrissat, B, Willats, W.G.T, Boraston, A.B. | Deposit date: | 2010-08-20 | Release date: | 2010-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Recognition of the Helical Structure of Beta-1,4-Galactan by a New Family of Carbohydrate-Binding Modules. J.Biol.Chem., 285, 2010
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5MEH
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3DK9
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![BU of 3dk9 by Molmil](/molmil-images/mine/3dk9) | Catalytic cycle of human glutathione reductase near 1 A resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, SULFATE ION | Authors: | Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A. | Deposit date: | 2008-06-24 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Catalytic cycle of human glutathione reductase near 1 A resolution. J.Mol.Biol., 382, 2008
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6S9Z
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![BU of 6s9z by Molmil](/molmil-images/mine/6s9z) | Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-15 | Release date: | 2020-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6SAY
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![BU of 6say by Molmil](/molmil-images/mine/6say) | Human Carbonic Anhydrase II in complex with fragment. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-18 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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4A02
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![BU of 4a02 by Molmil](/molmil-images/mine/4a02) | X-ray crystallographic structure of EfCBM33A | Descriptor: | CHITIN BINDING PROTEIN | Authors: | Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H. | Deposit date: | 2011-09-07 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme J.Mol.Biol., 416, 2012
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4A8I
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![BU of 4a8i by Molmil](/molmil-images/mine/4a8i) | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | Deposit date: | 2011-11-21 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission To be Published
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5RBW
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![BU of 5rbw by Molmil](/molmil-images/mine/5rbw) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D06b | Descriptor: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, DIMETHYL SULFOXIDE, 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 (0.95 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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4KQP
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![BU of 4kqp by Molmil](/molmil-images/mine/4kqp) | Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution | Descriptor: | GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | Deposit date: | 2013-05-15 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria. Structure, 21, 2013
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7WD6
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![BU of 7wd6 by Molmil](/molmil-images/mine/7wd6) | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid | Descriptor: | Fatty acid-binding protein, heart, HEXANOIC ACID, ... | Authors: | Sugiyama, S, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid To Be Published
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1RTQ
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![BU of 1rtq by Molmil](/molmil-images/mine/1rtq) | The 0.95 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica | Descriptor: | Bacterial leucyl aminopeptidase, SODIUM ION, THIOCYANATE ION, ... | Authors: | Desmarais, W, Bienvenue, D.L, Krzysztof, B.P, Holz, R.C, Petsko, G.A, Ringe, D. | Deposit date: | 2003-12-10 | Release date: | 2004-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The high-resolution structures of the neutral and the low pH crystals of aminopeptidase from Aeromonas proteolytica. J.Biol.Inorg.Chem., 11, 2006
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1KTH
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6RQI
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![BU of 6rqi by Molmil](/molmil-images/mine/6rqi) | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-fluorobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-05-15 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6FO5
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![BU of 6fo5 by Molmil](/molmil-images/mine/6fo5) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | Authors: | Raux, B, Betzi, S. | Deposit date: | 2018-02-06 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
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6SBH
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![BU of 6sbh by Molmil](/molmil-images/mine/6sbh) | Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-20 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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1ICK
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![BU of 1ick by Molmil](/molmil-images/mine/1ick) | LEFT-HANDED Z-DNA HEXAMER DUPLEX D(CGCGCG)2 | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE | Authors: | Dauter, Z, Adamiak, D.A. | Deposit date: | 2001-04-01 | Release date: | 2001-04-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Anomalous signal of phosphorus used for phasing DNA oligomer: importance of data redundancy. Acta Crystallogr.,Sect.D, 57, 2001
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4E3Y
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![BU of 4e3y by Molmil](/molmil-images/mine/4e3y) | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2012-03-11 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution To be Published
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