2G8E
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![BU of 2g8e by Molmil](/molmil-images/mine/2g8e) | Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Calpain-1 catalytic subunit, ... | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
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4OZW
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![BU of 4ozw by Molmil](/molmil-images/mine/4ozw) | |
4OD1
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![BU of 4od1 by Molmil](/molmil-images/mine/4od1) | Crystal structure of human Fab CAP256-VRC26.03, a potent V1V2-directed HIV-1 neutralizing antibody | Descriptor: | CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | Deposit date: | 2014-01-09 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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4OGV
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![BU of 4ogv by Molmil](/molmil-images/mine/4ogv) | Co-Crystal Structure of MDM2 with Inhibitor Compound 49 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OGN
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![BU of 4ogn by Molmil](/molmil-images/mine/4ogn) | Co-Crystal Structure of MDM2 with Inhbitor Compound 3 | Descriptor: | 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OGT
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![BU of 4ogt by Molmil](/molmil-images/mine/4ogt) | Co-Crystal Structure of MDM2 with Inhbitor Compound 46 | Descriptor: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5361 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OBA
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![BU of 4oba by Molmil](/molmil-images/mine/4oba) | Co-crystal structure of MDM2 with Inhibitor Compound 4 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-07 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OCR
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![BU of 4ocr by Molmil](/molmil-images/mine/4ocr) | Crystal structure of human Fab CAP256-VRC26.01, a potent V1V2-directed HIV-1 neutralizing antibody | Descriptor: | CAP256-VRC26.01 heavy chain, CAP256-VRC26.01 light chain | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | Deposit date: | 2014-01-09 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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4ODF
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![BU of 4odf by Molmil](/molmil-images/mine/4odf) | Co-Crystal Structure of MDM2 with Inhibitor Compound 47 | Descriptor: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2006 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4P7L
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![BU of 4p7l by Molmil](/molmil-images/mine/4p7l) | Structure of Escherichia coli PgaB C-terminal domain, P212121 crystal form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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2IVI
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![BU of 2ivi by Molmil](/molmil-images/mine/2ivi) | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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7WRO
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![BU of 7wro by Molmil](/molmil-images/mine/7wro) | Local structure of BD55-3372 and delta spike | Descriptor: | 3372H, 3372L, Spike protein S1 | Authors: | Liu, P.L. | Deposit date: | 2022-01-27 | Release date: | 2022-06-22 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
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8CHM
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![BU of 8chm by Molmil](/molmil-images/mine/8chm) | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHJ
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![BU of 8chj by Molmil](/molmil-images/mine/8chj) | Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8D9O
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![BU of 8d9o by Molmil](/molmil-images/mine/8d9o) | De Novo Photosynthetic Reaction Center Protein in Apo-State | Descriptor: | CADMIUM ION, Reaction Center Maquette | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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4P7O
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![BU of 4p7o by Molmil](/molmil-images/mine/4p7o) | Structure of Escherichia coli PgaB C-terminal domain, P1 crystal form | Descriptor: | Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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8D9P
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![BU of 8d9p by Molmil](/molmil-images/mine/8d9p) | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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7WSC
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![BU of 7wsc by Molmil](/molmil-images/mine/7wsc) | Local structure of BD55-3500 and omicron RBD complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3500H, 3500L, ... | Authors: | Liu, P.L. | Deposit date: | 2022-01-28 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Local structure of BD55-3500 and omicron RBD complex To Be Published
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4P99
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![BU of 4p99 by Molmil](/molmil-images/mine/4p99) | Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Guo, S, Vance, D.R.T, Campbell, R.L, Davies, P.L. | Deposit date: | 2014-04-02 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ca2+-stabilized adhesin helps an Antarctic bacterium reach out and bind ice. Biosci.Rep., 34, 2014
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4P7Q
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![BU of 4p7q by Molmil](/molmil-images/mine/4p7q) | Structure of Escherichia coli PgaB C-terminal domain in complex with N-acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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2IVJ
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![BU of 2ivj by Molmil](/molmil-images/mine/2ivj) | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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2G8J
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![BU of 2g8j by Molmil](/molmil-images/mine/2g8j) | Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor. | Descriptor: | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
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2JEQ
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![BU of 2jeq by Molmil](/molmil-images/mine/2jeq) | Family 5 xyloglucanase from Paenibacillus pabuli in complex with ligand | Descriptor: | XYLOGLUCANASE, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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2JOD
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![BU of 2jod by Molmil](/molmil-images/mine/2jod) | Pac1-Rshort N-terminal EC domain Pacap(6-38) complex | Descriptor: | Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor | Authors: | Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J. | Deposit date: | 2007-03-07 | Release date: | 2007-05-22 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS. Proc.Natl.Acad.Sci.Usa, 104, 2007
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4P7R
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![BU of 4p7r by Molmil](/molmil-images/mine/4p7r) | Structure of Escherichia coli PgaB C-terminal domain in complex with a poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) hexamer | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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