7ATV
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![BU of 7atv by Molmil](/molmil-images/mine/7atv) | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | Deposit date: | 2020-10-31 | Release date: | 2021-08-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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5CE4
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![BU of 5ce4 by Molmil](/molmil-images/mine/5ce4) | High Resolution X-Ray and Neutron diffraction structure of H-FABP | Descriptor: | Fatty acid-binding protein, heart, OLEIC ACID | Authors: | Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B. | Deposit date: | 2015-07-06 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | Cite: | High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution. Iucrj, 3, 2016
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8RC7
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![BU of 8rc7 by Molmil](/molmil-images/mine/8rc7) | |
6SG6
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![BU of 6sg6 by Molmil](/molmil-images/mine/6sg6) | |
3FSA
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2BZZ
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![BU of 2bzz by Molmil](/molmil-images/mine/2bzz) | Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A | Descriptor: | ACETIC ACID, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, NONSECRETORY RIBONUCLEASE | Authors: | Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2005-08-24 | Release date: | 2006-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A. Biochemistry, 45, 2006
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4FPT
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![BU of 4fpt by Molmil](/molmil-images/mine/4fpt) | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Di Pizio, A, Heine, A, Klebe, G. | Deposit date: | 2012-06-22 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
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3V1A
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![BU of 3v1a by Molmil](/molmil-images/mine/3v1a) | Crystal structure of de novo designed MID1-apo1 | Descriptor: | Computational design, MID1-apo1 | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3JU4
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![BU of 3ju4 by Molmil](/molmil-images/mine/3ju4) | Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution | Descriptor: | CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ... | Authors: | Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R. | Deposit date: | 2009-09-14 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure analysis of endosialidase NF at 0.98 A resolution. Acta Crystallogr.,Sect.D, 66, 2010
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2V8T
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![BU of 2v8t by Molmil](/molmil-images/mine/2v8t) | Crystal structure of Mn catalase from Thermus Thermophilus complexed with chloride | Descriptor: | CHLORIDE ION, LITHIUM ION, MANGANESE (II) ION, ... | Authors: | Antonyuk, S.V, Barynin, V.V, Vaguine, A.A, Melik-Adamyan, W.R, Popov, A.N, Lamsin, V.S, Harrison, P.M, Artymiuk, P.J. | Deposit date: | 2007-08-14 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Three-Dimentional Structure of the Enzyme Dimanganese Catalase from Thermus Thermophilus at 1 Angstrom Resolution Crystallogr.Rep.(Transl. Kristallografiya), 45, 2000
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1GHG
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![BU of 1ghg by Molmil](/molmil-images/mine/1ghg) | CRYSTAL STRUCTURE OF VANCOMYCIN AGLYCON | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, VANCOMYCIN AGLYCON | Authors: | Kaplan, J, Korty, B.D, Axelsen, P.H, Loll, P.J. | Deposit date: | 2000-12-13 | Release date: | 2001-02-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | The Role of Sugar Residues in Molecular Recognition by Vancomycin J.Med.Chem., 44, 2001
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1IC6
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![BU of 1ic6 by Molmil](/molmil-images/mine/1ic6) | STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION | Descriptor: | CALCIUM ION, NITRATE ION, PROTEINASE K | Authors: | Betzel, C, Gourinath, S, Kumar, P, Kaur, P, Perbandt, M, Eschenburg, S, Singh, T.P. | Deposit date: | 2001-03-30 | Release date: | 2001-04-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure of a serine protease proteinase K from Tritirachium album limber at 0.98 A resolution. Biochemistry, 40, 2001
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4WPK
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![BU of 4wpk by Molmil](/molmil-images/mine/4wpk) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I | Descriptor: | CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-20 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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5SY4
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2PNE
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![BU of 2pne by Molmil](/molmil-images/mine/2pne) | Crystal Structure of the Snow Flea Antifreeze Protein | Descriptor: | 6.5 kDa glycine-rich antifreeze protein | Authors: | Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M. | Deposit date: | 2007-04-24 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers J.Am.Chem.Soc., 130, 2008
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1UNQ
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![BU of 1unq by Molmil](/molmil-images/mine/1unq) | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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1K4I
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![BU of 1k4i by Molmil](/molmil-images/mine/1k4i) | Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with two Magnesium ions | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, MAGNESIUM ION, SULFATE ION | Authors: | Liao, D.-I, Zheng, Y.-J, Viitanen, P.V, Jordan, D.B. | Deposit date: | 2001-10-08 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase. Biochemistry, 41, 2002
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4EKF
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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2G58
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![BU of 2g58 by Molmil](/molmil-images/mine/2g58) | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution | Descriptor: | (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. | Deposit date: | 2006-02-22 | Release date: | 2006-03-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution To be Published
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3GGI
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![BU of 3ggi by Molmil](/molmil-images/mine/3ggi) | Locating monovalent cations in one turn of G/C rich B-DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION | Authors: | Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D. | Deposit date: | 2009-02-28 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Locating monovalent cations in one turn of G/C rich B-DNA To be Published
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6T81
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![BU of 6t81 by Molmil](/molmil-images/mine/6t81) | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | Descriptor: | AZIDE ION, BICINE, SODIUM ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-23 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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1GO6
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![BU of 1go6 by Molmil](/molmil-images/mine/1go6) | Balhimycin in complex with Lys-D-ala-D-ala | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Lehmann, C, Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | Deposit date: | 2001-10-19 | Release date: | 2002-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors J.Mol.Biol., 318, 2002
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6TN1
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![BU of 6tn1 by Molmil](/molmil-images/mine/6tn1) | Unliganded Crystal Structure of Recombinant GBA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-12-05 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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5NFK
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