6HMQ
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![BU of 6hmq by Molmil](/molmil-images/mine/6hmq) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6SYE
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3RCG
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![BU of 3rcg by Molmil](/molmil-images/mine/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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6RGP
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![BU of 6rgp by Molmil](/molmil-images/mine/6rgp) | 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. Second structure of the series with 165 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: | 2019-04-17 | 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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7TH6
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![BU of 7th6 by Molmil](/molmil-images/mine/7th6) | Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B21 | Descriptor: | 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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3X0K
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![BU of 3x0k by Molmil](/molmil-images/mine/3x0k) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
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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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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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4R15
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![BU of 4r15 by Molmil](/molmil-images/mine/4r15) | High-resolution crystal structure of Z-DNA in complex with Cr3+ cations | Descriptor: | CHROMIUM ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3') | Authors: | Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M. | Deposit date: | 2014-08-04 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations. J.Biol.Inorg.Chem., 20, 2015
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1XG0
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![BU of 1xg0 by Molmil](/molmil-images/mine/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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1BYI
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![BU of 1byi by Molmil](/molmil-images/mine/1byi) | STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION | Descriptor: | DETHIOBIOTIN SYNTHASE | Authors: | Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y. | Deposit date: | 1998-10-15 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure of dethiobiotin synthetase at 0.97 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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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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8JEA
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![BU of 8jea by Molmil](/molmil-images/mine/8jea) | Crystal structure of CGL1 from Crassostrea gigas, mannotriose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man) | Descriptor: | ACETIC ACID, CACODYLATE ION, MAGNESIUM ION, ... | Authors: | Unno, H, Hatakeyama, T. | Deposit date: | 2023-05-15 | Release date: | 2023-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis. J.Biochem., 175, 2023
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6RII
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![BU of 6rii by Molmil](/molmil-images/mine/6rii) | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by fluoride anions at sub-atomic resolution. Fourth structure of the series with 1200 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: | 2019-04-24 | 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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5SP2
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![BU of 5sp2 by Molmil](/molmil-images/mine/5sp2) | |
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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4MJ9
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![BU of 4mj9 by Molmil](/molmil-images/mine/4mj9) | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2013-09-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA Organometallics, 2015
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3VII
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![BU of 3vii by Molmil](/molmil-images/mine/3vii) | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with Bis-Tris | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, GLYCEROL, ... | 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 (0.97 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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4PNO
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1XMK
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![BU of 1xmk by Molmil](/molmil-images/mine/1xmk) | The Crystal structure of the Zb domain from the RNA editing enzyme ADAR1 | Descriptor: | CADMIUM ION, CHLORIDE ION, Double-stranded RNA-specific adenosine deaminase, ... | Authors: | Athanasiadis, A, Placido, D, Maas, S, Brown II, B.A, Lowenhaupt, K, Rich, A. | Deposit date: | 2004-10-03 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Crystal Structure of the Z[beta] Domain of the RNA-editing Enzyme ADAR1 Reveals Distinct Conserved Surfaces Among Z-domains. J.Mol.Biol., 351, 2005
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3AKS
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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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2WNA
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![BU of 2wna by Molmil](/molmil-images/mine/2wna) | |
3LL2
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![BU of 3ll2 by Molmil](/molmil-images/mine/3ll2) | |
3AKQ
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![BU of 3akq by Molmil](/molmil-images/mine/3akq) | |