4ZDM
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![BU of 4zdm by Molmil](/molmil-images/mine/4zdm) | Pleurobrachia bachei iGluR3 LBD Glycine Complex | Descriptor: | GLYCINE, Glutamate receptor kainate-like protein, SODIUM ION, ... | Authors: | Grey, R.J, Mayer, M.L. | Deposit date: | 2015-04-17 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Z9D
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![BU of 4z9d by Molmil](/molmil-images/mine/4z9d) | EcPltA | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin-like subunit ArtA, SODIUM ION | Authors: | Littler, D.R, Johnson, M.D, Summers, R.J, Schembri, M.A, Rossjohn, J, Beddoe, T. | Deposit date: | 2015-04-10 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and function analyses of a pertussis-like toxin from pathogenic Escherichia coli reveal a distinct mechanism of inhibition of trimeric G proteins. J. Biol. Chem., 2017
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7NB9
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![BU of 7nb9 by Molmil](/molmil-images/mine/7nb9) | E. coli NfsA with nitrofurantoin | Descriptor: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione, DIMETHYL SULFOXIDE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Day, M.D, Jarrom, D, Grainger, A.I, Parr, R.J, Hyde, E.I, White, S.A. | Deposit date: | 2021-01-25 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
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7NMP
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![BU of 7nmp by Molmil](/molmil-images/mine/7nmp) | E. coli NfsA with hydroquinone | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Day, M.D, Jarrom, D, Parr, R.J, Hyde, E.I, White, S.A. | Deposit date: | 2021-02-23 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN. Biochem.J., 478, 2021
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3RVC
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![BU of 3rvc by Molmil](/molmil-images/mine/3rvc) | Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | Descriptor: | Non-structural protein 1 | Authors: | Kerry, P.S, Long, E, Taylor, M.A, Russell, R.J.M. | Deposit date: | 2011-05-06 | Release date: | 2011-08-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conservation of a crystallographic interface suggests a role for beta-sheet augmentation in influenza virus NS1 multifunctionality. Acta Crystallogr.,Sect.F, 67, 2011
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1B0N
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![BU of 1b0n by Molmil](/molmil-images/mine/1b0n) | SINR PROTEIN/SINI PROTEIN COMPLEX | Descriptor: | PROTEIN (SINI PROTEIN), PROTEIN (SINR PROTEIN), ZINC ION | Authors: | Lewis, R.J, Brannigan, J.A, Offen, W.A, Smith, I, Wilkinson, A.J. | Deposit date: | 1998-11-11 | Release date: | 1999-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An evolutionary link between sporulation and prophage induction in the structure of a repressor:anti-repressor complex. J.Mol.Biol., 283, 1998
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3S3W
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![BU of 3s3w by Molmil](/molmil-images/mine/3s3w) | Structure of chicken acid-sensing ion channel 1 at 2.6 a resolution and ph 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, ... | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun, 3, 2012
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1BP7
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![BU of 1bp7 by Molmil](/molmil-images/mine/1bp7) | GROUP I MOBILE INTRON ENDONUCLEASE I-CREI COMPLEXED WITH HOMING SITE DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP* GP*C)-3'), DNA (5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP* CP*G)-3'), ... | Authors: | Jurica, M.S, Monnat Junior, R.J, Stoddard, B.L. | Deposit date: | 1998-08-13 | Release date: | 1999-01-06 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | DNA recognition and cleavage by the LAGLIDADG homing endonuclease I-CreI. Mol.Cell, 2, 1998
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7L4W
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![BU of 7l4w by Molmil](/molmil-images/mine/7l4w) | Crystal structure of human monoacylglycerol lipase in complex with compound 2d | Descriptor: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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7L4U
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![BU of 7l4u by Molmil](/molmil-images/mine/7l4u) | Crystal structure of human monoacylglycerol lipase in complex with compound 1h | Descriptor: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J, Dougan, D. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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1BRB
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![BU of 1brb by Molmil](/molmil-images/mine/1brb) | |
7L4T
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![BU of 7l4t by Molmil](/molmil-images/mine/7l4t) | Crystal structure of human monoacylglycerol lipase in complex with compound 1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ... | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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7L50
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![BU of 7l50 by Molmil](/molmil-images/mine/7l50) | Crystal structure of human monoacylglycerol lipase in complex with compound 4f | Descriptor: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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3R9B
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![BU of 3r9b by Molmil](/molmil-images/mine/3r9b) | Crystal structure of Mycobacterium smegmatis CYP164A2 in ligand free state | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 164A2, DODECANE, ... | Authors: | Agnew, C.R.J, Warrilow, A.G.S, Kelly, S.L, Brady, R.L. | Deposit date: | 2011-03-25 | Release date: | 2012-04-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
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1C48
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![BU of 1c48 by Molmil](/molmil-images/mine/1c48) | MUTATED SHIGA-LIKE TOXIN B SUBUNIT (G62T) | Descriptor: | PROTEIN (SHIGA-LIKE TOXIN I B SUBUNIT) | Authors: | Ling, H, Bast, D, Brunton, J.L, Read, R.J. | Deposit date: | 1999-08-11 | Release date: | 2000-08-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the Primary Receptor Binding Site of Shiga-Like Toxin B Subunits: Structures of Mutated Shiga-Like Toxin I B-Pentamer with and without Bound Carbohydrate To be Published
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1C4Q
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3R9C
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![BU of 3r9c by Molmil](/molmil-images/mine/3r9c) | Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... | Authors: | Agnew, C.R.J, Kelly, S.L, Brady, R.L. | Deposit date: | 2011-03-25 | Release date: | 2012-03-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
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1A0Q
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![BU of 1a0q by Molmil](/molmil-images/mine/1a0q) | 29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE | Descriptor: | 29G11 FAB (HEAVY CHAIN), 29G11 FAB (LIGHT CHAIN), PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE, ... | Authors: | Buchbinder, J.L, Stephenson, R.C, Scanlan, T.S, Fletterick, R.J. | Deposit date: | 1997-12-05 | Release date: | 1999-03-02 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A comparison of the crystallographic structures of two catalytic antibodies with esterase activity. J.Mol.Biol., 282, 1998
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3R4M
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![BU of 3r4m by Molmil](/molmil-images/mine/3r4m) | Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | Authors: | Almassy, R.J. | Deposit date: | 2011-03-17 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide. J.Med.Chem., 54, 2011
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1C8P
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![BU of 1c8p by Molmil](/molmil-images/mine/1c8p) | NMR STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE COMMON BETA-CHAIN IN THE GM-CSF, IL-3 AND IL-5 RECEPTORS | Descriptor: | CYTOKINE RECEPTOR COMMON BETA CHAIN | Authors: | Mulhern, T.D, D'Andrea, R.J, Gaunt, C, Vandeleur, L, Vadas, M.A, Lopez, A.F, Booker, G.W, Bagley, C.J. | Deposit date: | 1999-10-05 | Release date: | 2000-06-15 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The solution structure of the cytokine-binding domain of the common beta-chain of the receptors for granulocyte-macrophage colony-stimulating factor, interleukin-3 and interleukin-5. J.Mol.Biol., 297, 2000
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3O5S
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![BU of 3o5s by Molmil](/molmil-images/mine/3o5s) | Crystal Structure of the endo-beta-1,3-1,4 glucanase from Bacillus subtilis (strain 168) | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION | Authors: | Santos, C.R, Tonoli, C.C.C, Souza, A.R, Furtado, G.P, Ribeiro, L.F, Ward, R.J, Murakami, M.T. | Deposit date: | 2010-07-28 | Release date: | 2011-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biochemical and structural characterization of a Beta-1,3 1,4-glucanase from Bacillus subtilis 168 PROCESS BIOCHEM, 46, 2011
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4MV4
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![BU of 4mv4 by Molmil](/molmil-images/mine/4mv4) | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Mg2 | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxylase, CHLORIDE ION, ... | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | Deposit date: | 2013-09-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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1BV1
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![BU of 1bv1 by Molmil](/molmil-images/mine/1bv1) | BIRCH POLLEN ALLERGEN BET V 1 | Descriptor: | BET V 1 | Authors: | Gajhede, M, Osmark, P, Poulsen, F.M, Ipsen, H, Larson, J.N, Joostvan, R.J, Schou, C, Lowenstein, H, Spangfort, M.D. | Deposit date: | 1997-07-08 | Release date: | 1997-09-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray and NMR structure of Bet v 1, the origin of birch pollen allergy. Nat.Struct.Biol., 3, 1996
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4A4A
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![BU of 4a4a by Molmil](/molmil-images/mine/4a4a) | CpGH89 (E483Q, E601Q), from Clostridium perfringens, in complex with its substrate 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: | 2011-10-07 | Release date: | 2012-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a bacterial exo-alpha-D-N-acetylglucosaminidase in complex with an unusual disaccharide found in class III mucin. Glycobiology, 22, 2012
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