6W3W
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![BU of 6w3w by Molmil](/molmil-images/mine/6w3w) | An enumerative algorithm for de novo design of proteins with diverse pocket structures | Descriptor: | DENOVO NTF2, NITRATE ION | Authors: | Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6M3L
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![BU of 6m3l by Molmil](/molmil-images/mine/6m3l) | Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(nonspecific) complex | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*CP*GP*AP*TP*TP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*GP*CP*G)-3'), RE_R_Pab1 domain-containing protein | Authors: | Miyazono, K, Wang, D, Ito, T, Tanokura, M. | Deposit date: | 2020-03-04 | Release date: | 2020-03-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI. Nucleic Acids Res., 48, 2020
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4NC9
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![BU of 4nc9 by Molmil](/molmil-images/mine/4nc9) | Crystal structure of phosphatidyl mannosyltransferase PimA | Descriptor: | GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase | Authors: | Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M. | Deposit date: | 2013-10-24 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.192 Å) | Cite: | Secondary structure reshuffling modulates glycosyltransferase function at the membrane. Nat.Chem.Biol., 11, 2015
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6W9P
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![BU of 6w9p by Molmil](/molmil-images/mine/6w9p) | Tel26 Parallel Four-quartet G-quadruplex with K+ | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION | Authors: | McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J. | Deposit date: | 2020-03-23 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes. Nucleic Acids Res., 50, 2022
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5AFK
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![BU of 5afk by Molmil](/molmil-images/mine/5afk) | alpha7-AChBP in complex with lobeline and fragment 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ... | Authors: | Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C. | Deposit date: | 2015-01-22 | Release date: | 2015-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor. Proc.Natl.Acad.Sci.USA, 112, 2015
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1N47
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![BU of 1n47 by Molmil](/molmil-images/mine/1n47) | Isolectin B4 from Vicia villosa in complex with the Tn antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Isolectin B4, ... | Authors: | Babino, A, Tello, D, Rojas, A, Bay, S, Osinaga, E, Alzari, P.M. | Deposit date: | 2002-10-30 | Release date: | 2003-02-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of a plant lectin in complex with the Tn antigen FEBS Lett., 536, 2003
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6NSK
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![BU of 6nsk by Molmil](/molmil-images/mine/6nsk) | CryoEM structure of Helicobacter pylori urea channel in open state. | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, Acid-activated urea channel | Authors: | Cui, Y.X, Zhou, K, Strugatsky, D, Wen, Y, Sachs, G, Munson, K, Zhou, Z.H. | Deposit date: | 2019-01-24 | Release date: | 2019-04-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | pH-dependent gating mechanism of theHelicobacter pyloriurea channel revealed by cryo-EM. Sci Adv, 5, 2019
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5A1A
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![BU of 5a1a by Molmil](/molmil-images/mine/5a1a) | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor Science, 348, 2015
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5A2I
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![BU of 5a2i by Molmil](/molmil-images/mine/5a2i) | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A3O
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![BU of 5a3o by Molmil](/molmil-images/mine/5a3o) | Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(cinnamido)-6-deoxy-alpha-D-mannopyranoside at 1.6 ansgtrom | Descriptor: | CALCIUM ION, CHLORIDE ION, CINNAMIDE, ... | Authors: | Sommer, R, Hauck, D, Varrot, A, Audfray, A, Imberty, A, Titz, A. | Deposit date: | 2015-06-02 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cinnamide Derivatives of D-Mannose as Inhibitors of the Bacterial Virulence Factor Lecb from Pseudomonas Aeruginosa Chemistryopen, 4, 2015
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6NU9
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![BU of 6nu9 by Molmil](/molmil-images/mine/6nu9) | |
5A3V
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![BU of 5a3v by Molmil](/molmil-images/mine/5a3v) | Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana | Descriptor: | PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC | Authors: | Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D. | Deposit date: | 2015-06-03 | Release date: | 2016-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana. Front Plant Sci, 8, 2017
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2X7B
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![BU of 2x7b by Molmil](/molmil-images/mine/2x7b) | Crystal structure of the N-terminal acetylase Ard1 from Sulfolobus solfataricus P2 | Descriptor: | CHLORIDE ION, COENZYME A, N-ACETYLTRANSFERASE SSO0209 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Mackay, D, White, M.F, Taylor, G.L, Naismith, J.H. | Deposit date: | 2010-02-25 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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5A29
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![BU of 5a29 by Molmil](/molmil-images/mine/5a29) | Family 2 Pectate Lyase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | Deposit date: | 2015-05-15 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
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6VPV
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![BU of 6vpv by Molmil](/molmil-images/mine/6vpv) | Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y. | Deposit date: | 2020-02-04 | Release date: | 2021-08-04 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The structure of photosystem I from a high-light tolerant Cyanobacteria. Elife, 10, 2021
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6NE0
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![BU of 6ne0 by Molmil](/molmil-images/mine/6ne0) | Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14) | Descriptor: | CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ... | Authors: | Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C. | Deposit date: | 2018-12-15 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry. Mol. Cell, 74, 2019
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6NEU
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![BU of 6neu by Molmil](/molmil-images/mine/6neu) | FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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5AKT
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![BU of 5akt by Molmil](/molmil-images/mine/5akt) | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide | Descriptor: | Resveratrol-4'-O-glucuronide, SULFATE ION, TRANSTHYRETIN | Authors: | Florio, P, Folli, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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5A2J
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![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AG5
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![BU of 5ag5 by Molmil](/molmil-images/mine/5ag5) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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6WEJ
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![BU of 6wej by Molmil](/molmil-images/mine/6wej) | Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | Deposit date: | 2020-04-02 | Release date: | 2020-06-03 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 27, 2020
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5AG6
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![BU of 5ag6 by Molmil](/molmil-images/mine/5ag6) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | Descriptor: | (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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6NW4
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![BU of 6nw4 by Molmil](/molmil-images/mine/6nw4) | |
5A5E
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![BU of 5a5e by Molmil](/molmil-images/mine/5a5e) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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5A5F
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![BU of 5a5f by Molmil](/molmil-images/mine/5a5f) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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