2GZP
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![BU of 2gzp by Molmil](/molmil-images/mine/2gzp) | Solution NMR structure of Q8ZP25 from Salmonella typhimurium LT2; Northeast Structural Genomics Consortium Target STR70 | Descriptor: | putative chaperone | Authors: | Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T.B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-11 | Release date: | 2006-06-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Q8ZP24 from Salmonella typhimurium LT2. To be Published
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3H6R
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![BU of 3h6r by Molmil](/molmil-images/mine/3h6r) | Clitocypin, a beta-trefoil cysteine protease inhibitor | Descriptor: | Clitocypin analog | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | Deposit date: | 2009-04-23 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Versatile loops in mycocypins inhibit three protease families. J.Biol.Chem., 285, 2010
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4AC2
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![BU of 4ac2 by Molmil](/molmil-images/mine/4ac2) | CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-7 | Descriptor: | 2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-12 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4A31
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![BU of 4a31 by Molmil](/molmil-images/mine/4a31) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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3GLJ
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![BU of 3glj by Molmil](/molmil-images/mine/3glj) | A polymorph of carboxypeptidase B zymogen structure | Descriptor: | Carboxypeptidase B, GLYCEROL, ZINC ION | Authors: | Fernandez, D. | Deposit date: | 2009-03-12 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Analysis of a new crystal form of procarboxypeptidase B: further insights into the catalytic mechanism Biopolymers, 2009
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4A32
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![BU of 4a32 by Molmil](/molmil-images/mine/4a32) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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2H4B
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![BU of 2h4b by Molmil](/molmil-images/mine/2h4b) | cis-4-aminomethylphenylazobenzoic acid-avian pancreatic polypeptide | Descriptor: | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone | Authors: | Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D. | Deposit date: | 2006-05-24 | Release date: | 2006-09-12 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide Angew.Chem.Int.Ed.Engl., 45, 2006
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3GSH
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![BU of 3gsh by Molmil](/molmil-images/mine/3gsh) | Three-dimensional structure of a post translational modified barley LTP1 | Descriptor: | (12E)-10-oxooctadec-12-enoic acid, Non-specific lipid-transfer protein 1, SODIUM ION, ... | Authors: | Lascombe, M.B, Prange, T, Bakan, B, Marion, D. | Deposit date: | 2009-03-27 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of oxylipin-conjugated barley LTP1 highlights the unique plasticity of the hydrophobic cavity of these plant lipid-binding proteins. Biochem.Biophys.Res.Commun., 390, 2009
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3GOP
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![BU of 3gop by Molmil](/molmil-images/mine/3gop) | |
3VBS
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![BU of 3vbs by Molmil](/molmil-images/mine/3vbs) | Crystal structure of human Enterovirus 71 | Descriptor: | Genome Polyprotein, capsid protein VP1, capsid protein VP2, ... | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | Deposit date: | 2012-01-02 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. Nat.Struct.Mol.Biol., 19, 2012
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2HAS
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![BU of 2has by Molmil](/molmil-images/mine/2has) | Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol | Descriptor: | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | Authors: | Hourai, S, Rochel, N, Moras, D. | Deposit date: | 2006-06-13 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
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3VCE
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![BU of 3vce by Molmil](/molmil-images/mine/3vce) | Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | Descriptor: | GLYCEROL, Thaumatin I | Authors: | Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C. | Deposit date: | 2012-01-04 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art. Crit Rev Eukaryot Gene Expr, 22, 2012
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3VCJ
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![BU of 3vcj by Molmil](/molmil-images/mine/3vcj) | Thaumatin by LB Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | Descriptor: | GLYCEROL, Thaumatin I | Authors: | Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C. | Deposit date: | 2012-01-04 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art. Crit Rev Eukaryot Gene Expr, 22, 2012
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5SY7
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![BU of 5sy7 by Molmil](/molmil-images/mine/5sy7) | Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ... | Authors: | Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F. | Deposit date: | 2016-08-10 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors. Elife, 5, 2016
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3VB8
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![BU of 3vb8 by Molmil](/molmil-images/mine/3vb8) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR43 | Descriptor: | Engineered protein, SULFATE ION | Authors: | Seetharaman, J, Su, M, Procko, E, Baker, D, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-31 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Computational design of a protein-based enzyme inhibitor. J.Mol.Biol., 425, 2013
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2HB8
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![BU of 2hb8 by Molmil](/molmil-images/mine/2hb8) | Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol | Descriptor: | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3, Vitamin D3 receptor | Authors: | Hourai, S, Rochel, N, Moras, D. | Deposit date: | 2006-06-14 | Release date: | 2006-08-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
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5T1A
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![BU of 5t1a by Molmil](/molmil-images/mine/5t1a) | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | Authors: | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | Deposit date: | 2016-08-18 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature, 540, 2016
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3VCD
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![BU of 3vcd by Molmil](/molmil-images/mine/3vcd) | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-01-03 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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3GRB
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![BU of 3grb by Molmil](/molmil-images/mine/3grb) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 6.5 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-03-25 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3VGP
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![BU of 3vgp by Molmil](/molmil-images/mine/3vgp) | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AF_0329) from Archaeoglobus fulgidus | Descriptor: | Transmembrane oligosaccharyl transferase, putative | Authors: | Matsumoto, S, Igura, M, Nyirenda, J, Yuzawa, S, Noda, N.N, Inagaki, F, Kohda, D. | Deposit date: | 2011-08-18 | Release date: | 2012-07-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the C-Terminal Globular Domain of Oligosaccharyltransferase from Archaeoglobus fulgidus at 1.75 A Resolution Biochemistry, 51, 2012
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2GJK
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![BU of 2gjk by Molmil](/molmil-images/mine/2gjk) | Structural and functional insights into the human Upf1 helicase core | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Regulator of nonsense transcripts 1 | Authors: | Cheng, Z, Muhlrad, D, Parker, R, Song, H. | Deposit date: | 2006-03-31 | Release date: | 2007-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional insights into the human Upf1 helicase core Embo J., 26, 2007
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3H43
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![BU of 3h43 by Molmil](/molmil-images/mine/3h43) | N-terminal domain of the proteasome-activating nucleotidase of Methanocaldococcus jannaschii | Descriptor: | Proteasome-activating nucleotidase | Authors: | Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | Deposit date: | 2009-04-17 | Release date: | 2009-06-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii. Mol.Cell, 34, 2009
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3TZB
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![BU of 3tzb by Molmil](/molmil-images/mine/3tzb) | Quinone Oxidoreductase (NQ02) bound to NSC13000 | Descriptor: | 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1901 Å) | Cite: | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling. Mol.Cancer Ther., 11, 2012
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3VJH
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![BU of 3vjh by Molmil](/molmil-images/mine/3vjh) | Human PPAR GAMMA ligand binding domain in complex with JKPL35 | Descriptor: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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3U19
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![BU of 3u19 by Molmil](/molmil-images/mine/3u19) | CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | GLYCEROL, artificial protein OR51 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE
ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 To be Published
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