3NQ0
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![BU of 3nq0 by Molmil](/molmil-images/mine/3nq0) | Crystal Structure of Tyrosinase from Bacillus megaterium crystallized in the absence of Zinc | Descriptor: | COPPER (II) ION, Tyrosinase | Authors: | Sendovski, M, Kanteev, M, Adir, N, Fishman, A. | Deposit date: | 2010-06-29 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First structures of an active bacterial tyrosinase reveal copper plasticity. J.Mol.Biol., 405, 2011
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1CJG
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![BU of 1cjg by Molmil](/molmil-images/mine/1cjg) | NMR STRUCTURE OF LAC REPRESSOR HP62-DNA COMPLEX | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), PROTEIN (LAC REPRESSOR) | Authors: | Spronk, C.A.E.M, Bonvin, A.M.J.J, Radha, P.K, Melacini, G, Boelens, R, Kaptein, R. | Deposit date: | 1999-04-14 | Release date: | 2000-01-01 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator. Structure Fold.Des., 7, 1999
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1HZH
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![BU of 1hzh by Molmil](/molmil-images/mine/1hzh) | CRYSTAL STRUCTURE OF THE INTACT HUMAN IGG B12 WITH BROAD AND POTENT ACTIVITY AGAINST PRIMARY HIV-1 ISOLATES: A TEMPLATE FOR HIV VACCINE DESIGN | Descriptor: | IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN,Uncharacterized protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saphire, E.O, Burton, D.R, Wilson, I.A. | Deposit date: | 2001-01-24 | Release date: | 2001-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a neutralizing human IGG against HIV-1: a template for vaccine design. Science, 293, 2001
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4NUG
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![BU of 4nug by Molmil](/molmil-images/mine/4nug) | |
1CF2
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![BU of 1cf2 by Molmil](/molmil-images/mine/1cf2) | THREE-DIMENSIONAL STRUCTURE OF D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM THE HYPERTHERMOPHILIC ARCHAEON METHANOTHERMUS FERVIDUS | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE), SULFATE ION | Authors: | Charron, C, Talfournier, F, Isuppov, M.N, Branlant, G, Littlechild, J.A, Vitoux, B, Aubry, A. | Deposit date: | 1999-03-24 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallization and preliminary X-ray diffraction studies of D-glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Methanothermus fervidus. Acta Crystallogr.,Sect.D, 55, 1999
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1DVI
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![BU of 1dvi by Molmil](/molmil-images/mine/1dvi) | CALPAIN DOMAIN VI WITH CALCIUM BOUND | Descriptor: | CALCIUM ION, CALPAIN | Authors: | Cygler, M, Blanchard, H, Grochulski, P. | Deposit date: | 1997-05-15 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
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2XC4
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![BU of 2xc4 by Molmil](/molmil-images/mine/2xc4) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XC0
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![BU of 2xc0 by Molmil](/molmil-images/mine/2xc0) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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1EA4
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![BU of 1ea4 by Molmil](/molmil-images/mine/1ea4) | TRANSCRIPTIONAL REPRESSOR COPG/22bp dsDNA COMPLEX | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*CP*GP*TP*GP *CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*TP*C)-3'), DNA(5'-D(*AP*GP*AP*TP*TP*GP*CP*AP*TP *TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*GP*TP*T)-3'), TRANSCRIPTIONAL REPRESSOR COPG | Authors: | Gomis-Rueth, F.X, Costa, M, Sola, M, Acebo, P, Eritja, R, Espinosa, M, Solar, G.D, Coll, M. | Deposit date: | 2000-11-05 | Release date: | 2001-07-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Plasmid Transcriptional Repressor Copg Oligomerises to Render Helical Superstructures Unbound and in Complexes with Oligonucleotides J.Mol.Biol., 310, 2001
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4OPE
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![BU of 4ope by Molmil](/molmil-images/mine/4ope) | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7 | Descriptor: | NITRATE ION, NRPS/PKS | Authors: | Osipiuk, J, Mack, J, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-02-05 | Release date: | 2014-02-19 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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1O0F
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![BU of 1o0f by Molmil](/molmil-images/mine/1o0f) | RNASE A in complex with 3',5'-ADP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Ribonuclease pancreatic | Authors: | Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M. | Deposit date: | 2003-02-21 | Release date: | 2003-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors PROTEIN SCI., 12, 2003
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1O0M
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![BU of 1o0m by Molmil](/molmil-images/mine/1o0m) | Ribonuclease A in complex with uridine-2'-phosphate | Descriptor: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Ribonuclease pancreatic | Authors: | Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M. | Deposit date: | 2003-02-24 | Release date: | 2003-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors PROTEIN SCI., 12, 2003
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4PFC
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![BU of 4pfc by Molmil](/molmil-images/mine/4pfc) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
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2XBY
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![BU of 2xby by Molmil](/molmil-images/mine/2xby) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBW
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![BU of 2xbw by Molmil](/molmil-images/mine/2xbw) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBX
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![BU of 2xbx by Molmil](/molmil-images/mine/2xbx) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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1O0N
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![BU of 1o0n by Molmil](/molmil-images/mine/1o0n) | Ribonuclease A in complex with uridine-3'-phosphate | Descriptor: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | Authors: | Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M. | Deposit date: | 2003-02-24 | Release date: | 2003-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors PROTEIN SCI., 12, 2003
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2XC5
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![BU of 2xc5 by Molmil](/molmil-images/mine/2xc5) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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1CTY
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![BU of 1cty by Molmil](/molmil-images/mine/1cty) | |
4PE2
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![BU of 4pe2 by Molmil](/molmil-images/mine/4pe2) | MBP PilA1 CD160 | Descriptor: | MALONATE ION, Maltose ABC transporter periplasmic protein,Prepilin-type N-terminal cleavage/methylation domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Piepenbrink, K.H, Sundberg, E.J. | Deposit date: | 2014-04-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | Structural and Evolutionary Analyses Show Unique Stabilization Strategies in the Type IV Pili of Clostridium difficile. Structure, 23, 2015
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2XBV
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![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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3QNE
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![BU of 3qne by Molmil](/molmil-images/mine/3qne) | Candida albicans seryl-tRNA synthetase | Descriptor: | Seryl-tRNA synthetase, cytoplasmic | Authors: | Rocha, R, Santos, M.A, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2011-02-08 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unveiling the structural basis for translational ambiguity tolerance in a human fungal pathogen. Proc.Natl.Acad.Sci.USA, 108, 2011
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3Q9U
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![BU of 3q9u by Molmil](/molmil-images/mine/3q9u) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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1C54
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![BU of 1c54 by Molmil](/molmil-images/mine/1c54) | SOLUTION STRUCTURE OF RIBONUCLEASE SA | Descriptor: | RIBONUCLEASE SA | Authors: | Laurents, D.V, Canadillas-Perez, J.M, Santoro, J, Schell, D, Pace, C.N, Rico, M, Bruix, M. | Deposit date: | 1999-10-22 | Release date: | 2001-11-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of ribonuclease Sa. Proteins, 44, 2001
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3PZK
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![BU of 3pzk by Molmil](/molmil-images/mine/3pzk) | |