8SAH
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![BU of 8sah by Molmil](/molmil-images/mine/8sah) | Huntingtin C-HEAT domain in complex with HAP40 | Descriptor: | 40-kDa huntingtin-associated protein, Huntingtin | Authors: | Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-31 | Release date: | 2023-04-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40. Structure, 31, 2023
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1ZND
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![BU of 1znd by Molmil](/molmil-images/mine/1znd) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, PENTAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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1ZNK
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![BU of 1znk by Molmil](/molmil-images/mine/1znk) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, NONAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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4A42
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![BU of 4a42 by Molmil](/molmil-images/mine/4a42) | CpGH89CBM32-6 produced by Clostridium perfringens | Descriptor: | 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: | 2011-10-06 | Release date: | 2012-04-04 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens. Plos One, 7, 2012
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7O61
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3G3Z
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![BU of 3g3z by Molmil](/molmil-images/mine/3g3z) | The structure of NMB1585, a MarR family regulator from Neisseria meningitidis | Descriptor: | Transcriptional regulator, MarR family | Authors: | Nichols, C.E, Sainsbury, S, Ren, J, Walter, T.S, Verma, A, Stammers, D.K, Saunders, N.J, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2009-02-03 | Release date: | 2009-04-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of NMB1585, a MarR-family regulator from Neisseria meningitidis Acta Crystallogr.,Sect.F, 65, 2009
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6CFB
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![BU of 6cfb by Molmil](/molmil-images/mine/6cfb) | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti | Descriptor: | barrettide A | Authors: | Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U. | Deposit date: | 2018-02-14 | Release date: | 2018-03-21 | Last modified: | 2020-01-01 | Method: | SOLUTION NMR | Cite: | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti. J. Nat. Prod., 78, 2015
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1YYE
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![BU of 1yye by Molmil](/molmil-images/mine/1yye) | Crystal structure of estrogen receptor beta complexed with way-202196 | Descriptor: | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2005-02-24 | Release date: | 2006-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity J.Med.Chem., 48, 2005
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1ZM0
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![BU of 1zm0 by Molmil](/molmil-images/mine/1zm0) | Crystal Structure of the Carboxyl Terminal PH Domain of Pleckstrin To 2.1 Angstroms | Descriptor: | Pleckstrin | Authors: | Jackson, S.G, Zhang, Y, Zhang, K, Summerfield, R, Haslam, R.J, Junop, M.S. | Deposit date: | 2005-05-09 | Release date: | 2006-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the carboxy-terminal PH domain of pleckstrin at 2.1 Angstroms. Acta Crystallogr.,Sect.D, 62, 2006
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6CE8
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![BU of 6ce8 by Molmil](/molmil-images/mine/6ce8) | Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | (1,3-benzothiazol-2-yl)acetic 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 (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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1ZNE
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![BU of 1zne by Molmil](/molmil-images/mine/1zne) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, HEXAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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6CEC
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![BU of 6cec by Molmil](/molmil-images/mine/6cec) | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methoxyquinoxalin-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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1ZNL
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![BU of 1znl by Molmil](/molmil-images/mine/1znl) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, DECAN-1-OL, Major Urinary Protein | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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6CEF
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![BU of 6cef by Molmil](/molmil-images/mine/6cef) | Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(1,3-benzothiazol-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 (1.8 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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3G0G
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![BU of 3g0g by Molmil](/molmil-images/mine/3g0g) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-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 (2.45 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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1ZAF
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![BU of 1zaf by Molmil](/molmil-images/mine/1zaf) | Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one | Descriptor: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A. | Deposit date: | 2005-04-06 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones Bioorg.Med.Chem.Lett., 15, 2005
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6BR6
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![BU of 6br6 by Molmil](/molmil-images/mine/6br6) | N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 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: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03983879 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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3EBD
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![BU of 3ebd by Molmil](/molmil-images/mine/3ebd) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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6BXA
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![BU of 6bxa by Molmil](/molmil-images/mine/6bxa) | Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | Deposit date: | 2017-12-18 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies. J. Mol. Biol., 430, 2018
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3E6N
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![BU of 3e6n by Molmil](/molmil-images/mine/3e6n) | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4AD3
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![BU of 4ad3 by Molmil](/molmil-images/mine/4ad3) | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin | 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 (2 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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4AB6
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![BU of 4ab6 by Molmil](/molmil-images/mine/4ab6) | Regulatory domain structure of NMB2055 (MetR), C103S C106S mutant, a LysR family regulator from N. meningitidis | Descriptor: | SULFATE ION, TRANSCRIPTIONAL REGULATOR, LYSR FAMILY | Authors: | Sainsbury, S, Ren, J, Saunders, N.J, Stuart, D.I, Owens, R.J. | Deposit date: | 2011-12-07 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Regulatory Domain of the Lysr Family Regulator Nmb2055 (Metr-Like Protein) from Neisseria Meningitidis Acta Crystallogr.,Sect.F, 68, 2012
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1XU7
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![BU of 1xu7 by Molmil](/molmil-images/mine/1xu7) | Crystal Structure of the Interface Open Conformation of Tetrameric 11b-HSD1 | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ... | Authors: | Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K. | Deposit date: | 2004-10-25 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation. J.Biol.Chem., 280, 2005
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3EAI
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![BU of 3eai by Molmil](/molmil-images/mine/3eai) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4AKC
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![BU of 4akc by Molmil](/molmil-images/mine/4akc) | Structure of Galactose Binding lectin from Champedak (CGB) with Gal(beta)1,3-GalNac | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA-4 CHAIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins Acta Crystallogr.,Sect.F, 70, 2014
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