1XXN
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![BU of 1xxn by Molmil](/molmil-images/mine/1xxn) | Crystal structure of a mesophilic xylanase A from Bacillus subtilis 1A1 | Descriptor: | Endo-1,4-beta-xylanase A, S,R MESO-TARTARIC ACID | Authors: | Murakami, M.T, Ruller, R, Ward, R.J, Arni, R.K. | Deposit date: | 2004-11-07 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Correlation of temperature induced conformation change with optimum catalytic activity in the recombinant G/11 xylanase A from Bacillus subtilis strain 168 (1A1). Febs Lett., 579, 2005
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1XJ7
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![BU of 1xj7 by Molmil](/molmil-images/mine/1xj7) | Complex Androgen Receptor LBD and RAC3 peptide | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K. | Deposit date: | 2004-09-22 | Release date: | 2005-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor J.Biol.Chem., 280, 2005
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6COB
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![BU of 6cob by Molmil](/molmil-images/mine/6cob) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COI
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![BU of 6coi by Molmil](/molmil-images/mine/6coi) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.024 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4A6O
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![BU of 4a6o by Molmil](/molmil-images/mine/4a6o) | CpGH89CBM32-4, produced by Clostridium perfringens, in complex with glcNAc-alpha-1,4-galactose | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION | Authors: | Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B. | Deposit date: | 2011-11-07 | Release date: | 2012-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens. Plos One, 7, 2012
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4A5M
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![BU of 4a5m by Molmil](/molmil-images/mine/4a5m) | Redox regulator HypR in its oxidized form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR YYBR | Authors: | Palm, G.J, Waack, P, Read, R.J, Hinrichs, W. | Deposit date: | 2011-10-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights Into the Redox-Switch Mechanism of the Marr/Duf24-Type Regulator Hypr Nucleic Acids Res., 40, 2012
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4AD1
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![BU of 4ad1 by Molmil](/molmil-images/mine/4ad1) | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens | Descriptor: | GLYCOSYL HYDROLASE FAMILY 71 | Authors: | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | Deposit date: | 2011-12-21 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase. Proc.Natl.Acad.Sci.USA, 109, 2012
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3E65
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![BU of 3e65 by Molmil](/molmil-images/mine/3e65) | Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 | Descriptor: | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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6CWH
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![BU of 6cwh by Molmil](/molmil-images/mine/6cwh) | |
4AD5
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![BU of 4ad5 by Molmil](/molmil-images/mine/4ad5) | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ... | Authors: | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | Deposit date: | 2011-12-21 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase. Proc.Natl.Acad.Sci.USA, 109, 2012
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1NQG
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![BU of 1nqg by Molmil](/molmil-images/mine/1nqg) | OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, WITH BOUND CALCIUM | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, vitamin b12 receptor | Authors: | Chimento, D.P, Mohanty, A.K, Kadner, R.J, Wiener, M.C. | Deposit date: | 2003-01-21 | Release date: | 2003-04-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Substrate-induced transmembrane signaling in the cobalamin transporter BtuB Nat.Struct.Biol., 10, 2003
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1YMT
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![BU of 1ymt by Molmil](/molmil-images/mine/1ymt) | Mouse SF-1 LBD | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1 | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | Deposit date: | 2005-01-21 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1 Cell(Cambridge,Mass.), 120, 2005
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6CEA
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![BU of 6cea by Molmil](/molmil-images/mine/6cea) | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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1YS2
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![BU of 1ys2 by Molmil](/molmil-images/mine/1ys2) | Burkholderia cepacia lipase complexed with hexylphosphonic acid (S) 2-methyl-3-phenylpropyl ester | Descriptor: | CALCIUM ION, HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER, Lipase | Authors: | Mezzetti, A, Schrag, J.D, Cheong, C.S, Kazlauskas, R.J. | Deposit date: | 2005-02-06 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mirror-Image Packing in Enantiomer Discrimination Molecular Basis for the Enantioselectivity of B.cepacia Lipase toward 2-Methyl-3-Phenyl-1-Propanol. Chem.Biol., 12, 2005
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6CEE
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![BU of 6cee by Molmil](/molmil-images/mine/6cee) | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6COG
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![BU of 6cog by Molmil](/molmil-images/mine/6cog) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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1YP7
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![BU of 1yp7 by Molmil](/molmil-images/mine/1yp7) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | Descriptor: | CADMIUM ION, MAJOR URINARY PROTEIN 1 | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | Deposit date: | 2005-01-30 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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1PFC
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![BU of 1pfc by Molmil](/molmil-images/mine/1pfc) | MOLECULAR-REPLACEMENT STRUCTURE OF GUINEA PIG IGG1 P*FC(PRIME) REFINED AT 3.1 ANGSTROMS RESOLUTION | Descriptor: | IGG1 PFC' FC | Authors: | Bryant, S.H, Amzel, L.M, Poljak, R.J, Phizackerley, R.P. | Deposit date: | 1981-10-28 | Release date: | 1982-02-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.125 Å) | Cite: | Molecular-Replacement Structure of Guinea Pig Igg1 Pfc(Prime) Refined at 3.1 Angstroms Resolution Acta Crystallogr.,Sect.B, 41, 1985
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6BR5
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![BU of 6br5 by Molmil](/molmil-images/mine/6br5) | N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | Deposit date: | 2017-11-30 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.0379076 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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1YNM
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![BU of 1ynm by Molmil](/molmil-images/mine/1ynm) | Crystal structure of restriction endonuclease HinP1I | Descriptor: | R.HinP1I restriction endonuclease | Authors: | Yang, Z, Horton, J.R, Maunus, R, Wilson, G.G, Roberts, R.J, Cheng, X. | Deposit date: | 2005-01-24 | Release date: | 2005-05-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of HinP1I endonuclease reveals a striking similarity to the monomeric restriction enzyme MspI Nucleic Acids Res., 33, 2005
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1ZBL
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![BU of 1zbl by Molmil](/molmil-images/mine/1zbl) | Bacillus halodurans RNase H catalytic domain mutant D192N in complex with 12-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3', 5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3', MAGNESIUM ION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Crouch, R.J, Yang, W. | Deposit date: | 2005-04-08 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of RNase H Bound to an RNA/DNA Hybrid: Substrate Specificity and Metal-Dependent Catalysis. Cell(Cambridge,Mass.), 121, 2005
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3G0D
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![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3CL5
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![BU of 3cl5 by Molmil](/molmil-images/mine/3cl5) | Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O-diacetyl sialic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Zeng, Q.H, Langereis, M.A, van Vliet, A.L.W, Huizinga, E.G, de Groot, R.J. | Deposit date: | 2008-03-18 | Release date: | 2008-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6COH
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![BU of 6coh by Molmil](/molmil-images/mine/6coh) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, Alpha-hydroxynitrile lyase, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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