2NPZ
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![BU of 2npz by Molmil](/molmil-images/mine/2npz) | Crystal structure of junctioned hairpin ribozyme incorporating synthetic propyl linker | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2006-10-30 | Release date: | 2007-08-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme. Acta Crystallogr.,Sect.D, 63, 2007
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2NO1
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![BU of 2no1 by Molmil](/molmil-images/mine/2no1) | C4S dCK variant of dCK in complex with D-dC+ADP | Descriptor: | 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | Deposit date: | 2006-10-24 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides. J.Med.Chem., 50, 2007
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3GK1
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![BU of 3gk1 by Molmil](/molmil-images/mine/3gk1) | X-ray structure of bovine SBi132,Ca(2+)-S100B | Descriptor: | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-03-09 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography. Biochemistry, 48, 2009
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2NPY
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![BU of 2npy by Molmil](/molmil-images/mine/2npy) | Crystal Structure of a junctioned hairpin ribozyme incorporating 9atom linker and 2'-deoxy 2'-amino U at A-1 | Descriptor: | 2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL DIHYDROGEN PHOSPHATE, 5'-R(*CP*GP*GP*UP*GP*AP*GP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2006-10-30 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme. Acta Crystallogr.,Sect.D, 63, 2007
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2NQH
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![BU of 2nqh by Molmil](/molmil-images/mine/2nqh) | |
3GK2
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![BU of 3gk2 by Molmil](/molmil-images/mine/3gk2) | X-ray structure of bovine SBi279,Ca(2+)-S100B | Descriptor: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-03-09 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography. Biochemistry, 48, 2009
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4NN1
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3GK4
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![BU of 3gk4 by Molmil](/molmil-images/mine/3gk4) | X-ray structure of bovine SBi523,Ca(2+)-S100B | Descriptor: | CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-03-09 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography. Biochemistry, 48, 2009
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1IE5
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![BU of 1ie5 by Molmil](/molmil-images/mine/1ie5) | NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE. | Descriptor: | NEURAL CELL ADHESION MOLECULE | Authors: | Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J. | Deposit date: | 2001-04-06 | Release date: | 2001-08-08 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding? J.Mol.Biol., 311, 2001
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2KHY
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2Q24
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![BU of 2q24 by Molmil](/molmil-images/mine/2q24) | Crystal structure of TetR transcriptional regulator SCO0520 from Streptomyces coelicolor | Descriptor: | ACETATE ION, CHLORIDE ION, Putative tetR family transcriptional regulator | Authors: | Cymborowski, M, Chruszcz, M, Koclega, K.D, Filippova, E.V, Xu, X, Gu, J, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-05-25 | Release date: | 2007-07-03 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a putative transcriptional regulator SCO0520 from Streptomyces coelicolor A3(2) reveals an unusual dimer among TetR family proteins. J.Struct.Funct.Genom., 12, 2011
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1F6R
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![BU of 1f6r by Molmil](/molmil-images/mine/1f6r) | |
3H15
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2Q1J
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![BU of 2q1j by Molmil](/molmil-images/mine/2q1j) | The discovery of glycine and related amino acid-based factor xa inhibitors | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors BIOORG.MED.CHEM., 14, 2006
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3GLA
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![BU of 3gla by Molmil](/molmil-images/mine/3gla) | Crystal Structure of the hspA from Xanthomonas axonopodis | Descriptor: | Low molecular weight heat shock protein, PHOSPHATE ION | Authors: | Hilario, E, Medrano, F.J, Bertolini, M.C. | Deposit date: | 2009-03-11 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystallization and preliminary X-ray diffraction analysis of XAC1151,
a small heat-shock protein from Xanthomonas axonopodis pv. citri
belonging to the alpha-crystallin family Acta Crystallogr.,Sect.F, 62, 2006
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2Q31
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![BU of 2q31 by Molmil](/molmil-images/mine/2q31) | Actin Dimer Cross-linked Between Residues 41 and 374 and proteolytically cleaved by subtilisin between residues 47 and 48. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Sawaya, M.R, Pashkov, I, Kudryashov, D.S, Reisler, E, Yeates, T.O. | Deposit date: | 2007-05-29 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Multiple crystal structures of actin dimers and their implications for interactions in the actin filament. Acta Crystallogr.,Sect.D, 64, 2008
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1F7D
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![BU of 1f7d by Molmil](/molmil-images/mine/1f7d) | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS | Descriptor: | MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-26 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7K
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![BU of 1f7k by Molmil](/molmil-images/mine/1f7k) | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7N
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![BU of 1f7n by Molmil](/molmil-images/mine/1f7n) | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1IWA
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![BU of 1iwa by Molmil](/molmil-images/mine/1iwa) | RUBISCO FROM GALDIERIA PARTITA | Descriptor: | SULFATE ION, ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, ribulose-1,5-bisphosphate carboxylase/oxygenase small subunit | Authors: | Okano, Y, Mizohata, E, Xie, Y, Matsumura, H, Sugawara, H, Inoue, T, Yokota, A, Kai, Y. | Deposit date: | 2002-04-30 | Release date: | 2003-04-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-Ray Structure of Galdieria Rubisco Complexed with one sulfate ion per active site FEBS LETT., 527, 2002
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1F7O
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![BU of 1f7o by Molmil](/molmil-images/mine/1f7o) | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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4NYU
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![BU of 4nyu by Molmil](/molmil-images/mine/4nyu) | Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in C 2 2 21 | Descriptor: | ACETATE ION, CALCIUM ION, Deacetylase DA1, ... | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | Deposit date: | 2013-12-11 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
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3Q4D
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![BU of 3q4d by Molmil](/molmil-images/mine/3q4d) | Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala | Descriptor: | ALANINE, D-ALANINE, MAGNESIUM ION, ... | Authors: | Lukk, T, Gerlt, J.A, Nair, S.K. | Deposit date: | 2010-12-23 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3BOM
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![BU of 3bom by Molmil](/molmil-images/mine/3bom) | Crystal structure of trout hemoglobin at 1.35 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... | Authors: | Aranda IV, R, Bingman, C.A, Bitto, E, Wesenberg, G.E, Richards, M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-12-17 | Release date: | 2008-01-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Trout Hemoglobin Crystal Structure at 1.35 Angstroms Resolution. To be Published
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1H1B
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![BU of 1h1b by Molmil](/molmil-images/mine/1h1b) | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | Descriptor: | (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID, LEUKOCYTE ELASTASE, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Macdonald, S.J.F, Dowle, M.D, Harrison, L.A, Clarke, G.D.E, Inglis, G.G.A, Johnson, M.R, Smith, R.A, Amour, A, Fleetwood, G, Humphreys, D.C, Molloy, C.R, Dixon, M, Godward, R.E, Wonacott, A.J, Singh, O.M.P, Hodgson, S.T, Hardy, G.W. | Deposit date: | 2002-07-05 | Release date: | 2002-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Further Pyrrolidine Trans-Lactams as Inhibitors of Human Neutrophil Elastase (Hne) with Potential as Development Candidates and the Crystal Structure of Hne Complexed with an Inhibitor (Gw475151) J.Med.Chem., 45, 2002
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