4GA2
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![BU of 4ga2 by Molmil](/molmil-images/mine/4ga2) | |
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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6YIV
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![BU of 6yiv by Molmil](/molmil-images/mine/6yiv) | |
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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7OTU
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![BU of 7otu by Molmil](/molmil-images/mine/7otu) | Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2 | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Isoform 2 of Uridine 5'-monophosphate synthase | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | Deposit date: | 2021-06-10 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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7OV0
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![BU of 7ov0 by Molmil](/molmil-images/mine/7ov0) | |
3F1L
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![BU of 3f1l by Molmil](/molmil-images/mine/3f1l) | |
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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6SBM
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![BU of 6sbm by Molmil](/molmil-images/mine/6sbm) | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-21 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide To Be Published
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7A3H
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![BU of 7a3h by Molmil](/molmil-images/mine/7a3h) | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | Deposit date: | 1998-08-05 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase. Biochemistry, 37, 1998
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352D
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![BU of 352d by Molmil](/molmil-images/mine/352d) | THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION | Authors: | Phillips, K, Dauter, Z, Murchie, A.I.H, Lilley, D.M.J, Luisi, B. | Deposit date: | 1997-09-04 | Release date: | 1997-11-10 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The crystal structure of a parallel-stranded guanine tetraplex at 0.95 A resolution. J.Mol.Biol., 273, 1997
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2VHR
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![BU of 2vhr by Molmil](/molmil-images/mine/2vhr) | |
5E9N
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![BU of 5e9n by Molmil](/molmil-images/mine/5e9n) | Steccherinum murashkinskyi laccase at 0.95 resolution | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Glazunova, O.A, Fedorova, T.V, Koroleva, O.V. | Deposit date: | 2015-10-15 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi. Int. J. Biol. Macromol., 118, 2018
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3CNJ
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![BU of 3cnj by Molmil](/molmil-images/mine/3cnj) | |
1OB4
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![BU of 1ob4 by Molmil](/molmil-images/mine/1ob4) | Cephaibol A | Descriptor: | CEPHAIBOL A, ETHANOL | Authors: | Bunkoczi, G, Schiell, M, Vertesy, L, Sheldrick, G.M. | Deposit date: | 2003-01-24 | Release date: | 2003-12-11 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Crystal Structures of Cephaibols J.Pept.Sci., 9, 2003
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5NMN
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![BU of 5nmn by Molmil](/molmil-images/mine/5nmn) | |
2XJP
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![BU of 2xjp by Molmil](/molmil-images/mine/2xjp) | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and mannose | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | Deposit date: | 2010-07-06 | Release date: | 2010-12-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.USA, 107, 2010
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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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3ODV
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![BU of 3odv by Molmil](/molmil-images/mine/3odv) | X-ray structure of kaliotoxin by racemic protein crystallography | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid | Authors: | Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H. | Deposit date: | 2010-08-11 | Release date: | 2010-10-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography. Chem.Commun.(Camb.), 46, 2010
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5RCV
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![BU of 5rcv by Molmil](/molmil-images/mine/5rcv) | PanDDA analysis group deposition -- Endothiapepsin ground state model 17 | 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 (0.95 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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6Y0Y
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![BU of 6y0y by Molmil](/molmil-images/mine/6y0y) | Sarcin Ricin Loop, mutant C2666U | Descriptor: | MAGNESIUM ION, RNA (27-MER), SODIUM ION | Authors: | Ennifar, E, Westhof, E. | Deposit date: | 2020-02-10 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Sarcin Ricin Loop, mutant C2666U To Be Published
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4UNU
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![BU of 4unu by Molmil](/molmil-images/mine/4unu) | MCG - a dimer of lambda variable domains | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, POLYETHYLENE GLYCOL (N=34), SULFATE ION | Authors: | Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C, Whitelegge, J, Casio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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3WGE
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![BU of 3wge by Molmil](/molmil-images/mine/3wge) | Crystal structure of ERp46 Trx2 | Descriptor: | GLYCEROL, Thioredoxin domain-containing protein 5 | Authors: | Inaba, K, Suzuki, M, Kojima, R. | Deposit date: | 2013-08-04 | Release date: | 2014-06-25 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family Structure, 22, 2014
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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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7AVJ
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![BU of 7avj by Molmil](/molmil-images/mine/7avj) | |