4KE9
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![BU of 4ke9 by Molmil](/molmil-images/mine/4ke9) | Crystal structure of Monoglyceride lipase from Bacillus sp. H257 in complex with an 1-stearyol glycerol analogue | Descriptor: | Thermostable monoacylglycerol lipase, hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | Deposit date: | 2013-04-25 | Release date: | 2013-09-18 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J.Biol.Chem., 288, 2013
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4KHO
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1V63
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![BU of 1v63 by Molmil](/molmil-images/mine/1v63) | Solution structure of the 6th HMG box of mouse UBF1 | Descriptor: | Nucleolar transcription factor 1 | Authors: | Sato, M, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-27 | Release date: | 2004-05-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the 6th HMG box of mouse UBF1 To be Published
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1BOD
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![BU of 1bod by Molmil](/molmil-images/mine/1bod) | THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS | Descriptor: | CALBINDIN D9K | Authors: | Johansson, C, Ullner, M, Drakenberg, T. | Deposit date: | 1993-04-23 | Release date: | 1993-10-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds. Biochemistry, 32, 1993
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2Q0S
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![BU of 2q0s by Molmil](/molmil-images/mine/2q0s) | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | Descriptor: | Aryl esterase, SULFATE ION | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | Deposit date: | 2007-05-22 | Release date: | 2007-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions. Biochemistry, 46, 2007
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1VBO
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![BU of 1vbo by Molmil](/molmil-images/mine/1vbo) | Crystal structure of artocarpin-mannotriose complex | Descriptor: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | Deposit date: | 2004-02-28 | Release date: | 2004-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity J.Mol.Biol., 338, 2004
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4KUY
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4KV5
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![BU of 4kv5 by Molmil](/molmil-images/mine/4kv5) | scFv GC1009 in complex with TGF-beta1. | Descriptor: | Single-chain variable fragment GC1009, Transforming growth factor beta-1 proprotein | Authors: | Wei, R, Moulin, A.G, Mathieu, M. | Deposit date: | 2013-05-22 | Release date: | 2014-09-24 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions. Protein Sci., 23, 2014
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1VBF
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![BU of 1vbf by Molmil](/molmil-images/mine/1vbf) | Crystal structure of protein L-isoaspartate O-methyltransferase homologue from Sulfolobus tokodaii | Descriptor: | 231aa long hypothetical protein-L-isoaspartate O-methyltransferase | Authors: | Tanaka, Y, Tsumoto, K, Yasutake, Y, Umetsu, M, Yao, M, Tanaka, I, Fukada, H, Kumagai, I. | Deposit date: | 2004-02-25 | Release date: | 2004-08-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | How Oligomerization Contributes to the Thermostability of an Archaeon Protein: PROTEIN L-ISOASPARTYL-O-METHYLTRANSFERASE FROM SULFOLOBUS TOKODAII J.Biol.Chem., 279, 2004
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6JZQ
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1ZV4
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![BU of 1zv4 by Molmil](/molmil-images/mine/1zv4) | Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | Descriptor: | Regulator of G-protein signaling 17 | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-01 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1UXX
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![BU of 1uxx by Molmil](/molmil-images/mine/1uxx) | CBM6ct from Clostridium thermocellum in complex with xylopentaose | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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1CLK
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![BU of 1clk by Molmil](/molmil-images/mine/1clk) | CRYSTAL STRUCTURE OF STREPTOMYCES DIASTATICUS NO.7 STRAIN M1033 XYLOSE ISOMERASE AT 1.9 A RESOLUTION WITH PSEUDO-I222 SPACE GROUP | Descriptor: | COBALT (II) ION, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Niu, L, Teng, M, Zhu, X, Gong, W. | Deposit date: | 1999-04-29 | Release date: | 2000-05-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution. Acta Crystallogr.,Sect.D, 56, 2000
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4M8Y
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![BU of 4m8y by Molmil](/molmil-images/mine/4m8y) | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | Deposit date: | 2013-08-14 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions. J.Virol., 88, 2014
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1ZXB
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![BU of 1zxb by Molmil](/molmil-images/mine/1zxb) | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-07 | Release date: | 2006-06-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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1UYY
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![BU of 1uyy by Molmil](/molmil-images/mine/1uyy) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellotriose | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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2Q6C
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![BU of 2q6c by Molmil](/molmil-images/mine/2q6c) | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-06-04 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1ZXY
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![BU of 1zxy by Molmil](/molmil-images/mine/1zxy) | Anthranilate Phosphoribosyltransferase from Sulfolobus solfataricus in complex with PRPP and Magnesium | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION | Authors: | Marino, M, Deuss, M, Sterner, R, Mayans, O. | Deposit date: | 2005-06-09 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural and mutational analysis of substrate complexation by anthranilate phosphoribosyltransferase from Sulfolobus solfataricus. J.Biol.Chem., 281, 2006
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5CXW
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![BU of 5cxw by Molmil](/molmil-images/mine/5cxw) | Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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5CVS
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![BU of 5cvs by Molmil](/molmil-images/mine/5cvs) | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | Deposit date: | 2015-07-27 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE. J.Biol.Chem., 291, 2016
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287D
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1CYZ
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![BU of 1cyz by Molmil](/molmil-images/mine/1cyz) | NMR STRUCTURE OF THE GAACTGGTTC/TRI-IMIDAZOLE POLYAMIDE COMPLEX | Descriptor: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, 5'-D(*GP*AP*AP*CP*TP*GP*GP*TP*TP*C)-3' | Authors: | Yang, X.-L, Hubbard IV, R.B, Lee, M, Tao, Z.-F, Sugiyama, H, Wang, A.H.-J. | Deposit date: | 1999-08-31 | Release date: | 1999-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Imidazole-imidazole pair as a minor groove recognition motif for T:G mismatched base pairs Nucleic Acids Res., 27, 1999
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2A0C
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![BU of 2a0c by Molmil](/molmil-images/mine/2a0c) | Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | Descriptor: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | Authors: | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | Deposit date: | 2005-06-16 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor Cell.Mol.Life Sci., 62, 2005
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5CZ6
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![BU of 5cz6 by Molmil](/molmil-images/mine/5cz6) | Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans | Descriptor: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-07-31 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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1D2M
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![BU of 1d2m by Molmil](/molmil-images/mine/1d2m) | UVRB PROTEIN OF THERMUS THERMOPHILUS HB8; A NUCLEOTIDE EXCISION REPAIR ENZYME | Descriptor: | EXCINUCLEASE ABC SUBUNIT B, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Nakagawa, N, Sugahara, M, Masui, R, Kato, R, Fukuyama, K, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-09-25 | Release date: | 2000-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Thermus thermophilus HB8 UvrB protein, a key enzyme of nucleotide excision repair. J.Biochem.(Tokyo), 126, 1999
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