4EBW
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![BU of 4ebw by Molmil](/molmil-images/mine/4ebw) | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | Descriptor: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | Authors: | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | Deposit date: | 2012-03-25 | Release date: | 2012-07-25 | Last modified: | 2013-03-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and characterization of novel allosteric FAK inhibitors. Eur.J.Med.Chem., 61, 2013
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4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4P66
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![BU of 4p66 by Molmil](/molmil-images/mine/4p66) | Electrostatics of Active Site Microenvironments of E. coli DHFR | Descriptor: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | Authors: | Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J. | Deposit date: | 2014-03-21 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc., 136, 2014
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7ZDI
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![BU of 7zdi by Molmil](/molmil-images/mine/7zdi) | PucB-LH2 complex from Rps. palustris | Descriptor: | 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein, ... | Authors: | Qian, P, Cogdell, R.J, Nguyen-Phan, T.C. | Deposit date: | 2022-03-29 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZE3
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![BU of 7ze3 by Molmil](/molmil-images/mine/7ze3) | PucD-LH2 complex from Rps. palustris | Descriptor: | (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein B-800-850 alpha chain, ... | Authors: | Qian, P, Cogdell, R.J, Nguyen-Phan, T.C. | Deposit date: | 2022-03-30 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZE8
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![BU of 7ze8 by Molmil](/molmil-images/mine/7ze8) | PucE-LH2 complex from Rps. palustris | Descriptor: | 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein, ... | Authors: | Qian, P, Cogdell, R.J, Nguyen-Phan, T.C. | Deposit date: | 2022-03-30 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning. Proc.Natl.Acad.Sci.USA, 119, 2022
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4LE7
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![BU of 4le7 by Molmil](/molmil-images/mine/4le7) | The Crystal Structure of Pyocin L1 at 2.09 Angstroms | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Pyocin L1 | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, R.J, Walker, D. | Deposit date: | 2013-06-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor. Plos Pathog., 10, 2014
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7ZCU
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![BU of 7zcu by Molmil](/molmil-images/mine/7zcu) | PucA-LH2 complex from Rps. palustris | Descriptor: | 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein B-800-850 alpha chain, ... | Authors: | Qian, P, Cogdell, R.J. | Deposit date: | 2022-03-28 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning. Proc.Natl.Acad.Sci.USA, 119, 2022
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7YX8
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![BU of 7yx8 by Molmil](/molmil-images/mine/7yx8) | Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2022-02-15 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut. Nat Commun, 13, 2022
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7YX5
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![BU of 7yx5 by Molmil](/molmil-images/mine/7yx5) | Structure of the Mimivirus genomic fibre in its relaxed 5-start helix form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield. Elife, 11, 2022
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7YX4
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![BU of 7yx4 by Molmil](/molmil-images/mine/7yx4) | Structure of the Mimivirus genomic fibre in its compact 5-start helix form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield. Elife, 11, 2022
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7YX3
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![BU of 7yx3 by Molmil](/molmil-images/mine/7yx3) | Structure of the Mimivirus genomic fibre in its compact 6-start helix form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30-nm diameter helical protein shield. Elife, 11, 2022
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4IXQ
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![BU of 4ixq by Molmil](/molmil-images/mine/4ixq) | RT fs X-ray diffraction of Photosystem II, dark state | 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: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | Deposit date: | 2013-01-27 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.7 Å) | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science, 340, 2013
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4HFD
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![BU of 4hfd by Molmil](/molmil-images/mine/4hfd) | The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to bromoform | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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4HTG
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![BU of 4htg by Molmil](/molmil-images/mine/4htg) | Porphobilinogen Deaminase from Arabidopsis Thaliana | Descriptor: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, ACETATE ION, Porphobilinogen deaminase, ... | Authors: | Roberts, A, Gill, R, Hussey, R.J, Erskine, P.T, Cooper, J.B, Wood, S.P, Chrystal, E.J.T, Shoolingin-Jordan, P.M. | Deposit date: | 2012-11-01 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights into the mechanism of pyrrole polymerization catalysed by porphobilinogen deaminase: high-resolution X-ray studies of the Arabidopsis thaliana enzyme. Acta Crystallogr.,Sect.D, 69, 2013
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4K48
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![BU of 4k48 by Molmil](/molmil-images/mine/4k48) | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | Descriptor: | Leucine--tRNA ligase | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
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4GMK
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![BU of 4gmk by Molmil](/molmil-images/mine/4gmk) | Crystal Structure of Ribose 5-Phosphate Isomerase from the Probiotic Bacterium Lactobacillus salivarius UCC118 | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Ribose-5-phosphate isomerase A | Authors: | Lobley, C.M.C, Aller, P, Douangamath, A, Reddivari, Y, Bumann, M, Bird, L.E, Brandao-Neto, J, Owens, R.J, O'Toole, P.W, Walsh, M.A. | Deposit date: | 2012-08-16 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118. Acta Crystallogr.,Sect.F, 68, 2012
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4I4E
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![BU of 4i4e by Molmil](/molmil-images/mine/4i4e) | Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound. | Descriptor: | Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone | Authors: | Skene, R.J, Hosfield, D.J. | Deposit date: | 2012-11-27 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg.Med.Chem.Lett., 23, 2013
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3KJK
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![BU of 3kjk by Molmil](/molmil-images/mine/3kjk) | Crystal structure of NMB1025, a member of YjgF protein family, from Neisseria meningitidis (monoclinic crystal form) | Descriptor: | NMB1025 protein | Authors: | Ren, J, Sainsbury, S, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2009-11-03 | Release date: | 2009-11-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of NMB1025, a member of YjgF protein family, from Neisseria meningitidis To be Published
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5FSR
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![BU of 5fsr by Molmil](/molmil-images/mine/5fsr) | Crystal structure of penicillin binding protein 6B from Escherichia coli | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD | Authors: | Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W. | Deposit date: | 2016-01-07 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli Mbio, 7, 2016
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5FJZ
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![BU of 5fjz by Molmil](/molmil-images/mine/5fjz) | |
1WUU
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![BU of 1wuu by Molmil](/molmil-images/mine/1wuu) | crystal structure of human galactokinase complexed with MgAMPPNP and galactose | Descriptor: | Galactokinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Thoden, J.B, Timson, D.J, Reece, R.J, Holden, H.M. | Deposit date: | 2004-12-08 | Release date: | 2004-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Structure of Human Galactokinase: IMPLICATIONS FOR TYPE II GALACTOSEMIA J.Biol.Chem., 280, 2005
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4XWO
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![BU of 4xwo by Molmil](/molmil-images/mine/4xwo) | Structure of Get3 bound to the transmembrane domain of Sec22 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, ... | Authors: | Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J. | Deposit date: | 2015-01-29 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo. Science, 347, 2015
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3L0H
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![BU of 3l0h by Molmil](/molmil-images/mine/3l0h) | Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione | Descriptor: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | Authors: | Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Burke, J.P, Dirr, H.W. | Deposit date: | 2009-12-10 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1. Biochim.Biophys.Acta, 1804, 2010
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3KJJ
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![BU of 3kjj by Molmil](/molmil-images/mine/3kjj) | Crystal structure of NMB1025, a member of YjgF protein family, from Neisseria meningitidis (hexagonal crystal form) | Descriptor: | GLYCEROL, NMB1025 protein | Authors: | Ren, J, Sainsbury, S, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2009-11-03 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of NMB1025, a member of YjgF protein family, from Neisseria meningitidis To be Published
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