2CO6
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![BU of 2co6 by Molmil](/molmil-images/mine/2co6) | Salmonella enterica SafA pilin in complex with the SafB chaperone (Type I) | Descriptor: | PUTATIVE FIMBRIAE ASSEMBLY CHAPERONE, PUTATIVE OUTER MEMBRANE PROTEIN | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | Deposit date: | 2006-05-25 | Release date: | 2006-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism Mol.Cell, 22, 2006
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7UY1
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![BU of 7uy1 by Molmil](/molmil-images/mine/7uy1) | HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Gunn, R.J. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
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2CNY
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![BU of 2cny by Molmil](/molmil-images/mine/2cny) | Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide (I15A mutant) | Descriptor: | PUTATIVE OUTER MEMBRANE PROTEIN | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | Deposit date: | 2006-05-25 | Release date: | 2006-06-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism Mol.Cell, 22, 2006
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2CJI
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![BU of 2cji by Molmil](/molmil-images/mine/2cji) | Crystal structure of a Human Factor Xa inhibitor complex | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J. | Deposit date: | 2006-04-03 | Release date: | 2006-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2CNZ
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![BU of 2cnz by Molmil](/molmil-images/mine/2cnz) | Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide (V13A mutant) | Descriptor: | PUTATIVE OUTER MEMBRANE PROTEIN | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | Deposit date: | 2006-05-25 | Release date: | 2006-06-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism Mol.Cell, 22, 2006
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2CO1
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![BU of 2co1 by Molmil](/molmil-images/mine/2co1) | Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide (F17A mutant) | Descriptor: | PUTATIVE OUTER MEMBRANE PROTEIN | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | Deposit date: | 2006-05-25 | Release date: | 2006-06-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism Mol.Cell, 22, 2006
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2CO2
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![BU of 2co2 by Molmil](/molmil-images/mine/2co2) | Salmonella enterica SafA pilin in complex with a 19-residue SafA Nte peptide (F3A mutant) | Descriptor: | SAFA N-TERMINAL EXTENSION, SAFA PILUS SUBUNIT | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | Deposit date: | 2006-05-25 | Release date: | 2006-06-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism Mol.Cell, 22, 2006
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5AN5
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![BU of 5an5 by Molmil](/molmil-images/mine/5an5) | B. subtilis GpsB C-terminal Domain | Descriptor: | CELL CYCLE PROTEIN GPSB, GLYCEROL | Authors: | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | Deposit date: | 2015-09-04 | Release date: | 2015-11-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins. Mol.Microbiol., 99, 2016
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3NMJ
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![BU of 3nmj by Molmil](/molmil-images/mine/3nmj) | Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | Descriptor: | N-1,10-phenanthrolin-5-ylacetamide, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Radford, R.J, Tezcan, F.A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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4JUK
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![BU of 4juk by Molmil](/molmil-images/mine/4juk) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.2.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7502 Å) | Cite: | To be published To be Published
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4JUN
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![BU of 4jun by Molmil](/molmil-images/mine/4jun) | Crystal structure of H5N1 influenza virus hemagglutinin, clade 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2013-03-25 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3398 Å) | Cite: | To be published To be Published
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3NMI
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![BU of 3nmi by Molmil](/molmil-images/mine/3nmi) | Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | Descriptor: | ACETATE ION, N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Radford, R.J, Tezcan, F.A. | Deposit date: | 2010-06-22 | Release date: | 2010-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites. Chem.Commun.(Camb.), 47, 2011
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4K06
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![BU of 4k06 by Molmil](/molmil-images/mine/4k06) | Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ... | Authors: | Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M. | Deposit date: | 2013-04-03 | Release date: | 2013-11-13 | Last modified: | 2013-11-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom. Biochim.Biophys.Acta, 1834, 2013
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5CMF
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![BU of 5cmf by Molmil](/molmil-images/mine/5cmf) | GTA mutant with mercury - E303A | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Gagnon, S.M.L, Blackler, R.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site. Glycobiology, 27, 2017
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2CNC
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![BU of 2cnc by Molmil](/molmil-images/mine/2cnc) | Family 10 xylanase | Descriptor: | CHLORIDE ION, ENDOXYLANASE, MAGNESIUM ION, ... | Authors: | Xie, H, Flint, J, Vardakou, M, Lakey, J.H, Lewis, R.J, Gilbert, H.J, Dumon, C. | Deposit date: | 2006-05-19 | Release date: | 2006-06-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Structural Basis for the Difference in Thermostability Displayed by Family 10 Xylanases. J.Mol.Biol., 360, 2006
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3MIW
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![BU of 3miw by Molmil](/molmil-images/mine/3miw) | Crystal Structure of Rotavirus NSP4 | Descriptor: | 1,2-ETHANEDIOL, Non-structural glycoprotein 4 | Authors: | Chacko, A.R, Read, R.J, Dodson, E.J, Rao, D.C, Suguna, K. | Deposit date: | 2010-04-12 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new pentameric structure of rotavirus NSP4 revealed by molecular replacement. Acta Crystallogr.,Sect.D, 68, 2012
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2CHN
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![BU of 2chn by Molmil](/molmil-images/mine/2chn) | Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ... | Authors: | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2006-03-15 | Release date: | 2006-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
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4LH8
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![BU of 4lh8 by Molmil](/molmil-images/mine/4lh8) | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | Triazine hydrolase, ZINC ION | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-07-01 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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5C1Z
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![BU of 5c1z by Molmil](/molmil-images/mine/5c1z) | Parkin (UblR0RBR) | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | Deposit date: | 2015-06-15 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis. Embo J., 34, 2015
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3N0I
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![BU of 3n0i by Molmil](/molmil-images/mine/3n0i) | Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide | Descriptor: | Fiber, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ZINC ION | Authors: | Nilsson, E.C, Storm, R.J, Bauer, J, Johansson, S.M.C, Lookene, A, Angstroem, J, Hedenstroem, M, Fraengsmyr, L, Rinaldi, S, Willison, H, Domelloef, F.P, Stehle, T, Arnberg, N. | Deposit date: | 2010-05-14 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis. NAT.MED. (N.Y.), 17, 2011
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5COJ
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![BU of 5coj by Molmil](/molmil-images/mine/5coj) | Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol. | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | Deposit date: | 2015-07-20 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep, 6, 2016
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4KWJ
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![BU of 4kwj by Molmil](/molmil-images/mine/4kwj) | Resting state of rat cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION | Authors: | Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L. | Deposit date: | 2013-05-24 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase. Biochemistry, 52, 2013
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3S11
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![BU of 3s11 by Molmil](/molmil-images/mine/3s11) | Crystal structure of H5N1 influenza virus hemagglutinin, strain 437-10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J. | Deposit date: | 2011-05-14 | Release date: | 2011-12-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity. Plos Pathog., 7, 2011
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3NGS
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![BU of 3ngs by Molmil](/molmil-images/mine/3ngs) | Structure of Leishmania nucleoside diphosphate kinase b with ordered nucleotide-binding loop | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Nucleoside diphosphate kinase, PHOSPHATE ION | Authors: | Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T. | Deposit date: | 2010-06-13 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding. Mol Biosyst, 7, 2011
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3NGT
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![BU of 3ngt by Molmil](/molmil-images/mine/3ngt) | Structure of Leishmania NDKb complexed with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, Nucleoside diphosphate kinase | Authors: | Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T. | Deposit date: | 2010-06-13 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding. Mol Biosyst, 7, 2011
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