5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3N0M
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![BU of 3n0m by Molmil](/molmil-images/mine/3n0m) | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-14 | Release date: | 2010-06-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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5ENE
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![BU of 5ene by Molmil](/molmil-images/mine/5ene) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening) | Descriptor: | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENJ
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![BU of 5enj by Molmil](/molmil-images/mine/5enj) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | Descriptor: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENC
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![BU of 5enc by Molmil](/molmil-images/mine/5enc) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3N0S
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![BU of 3n0s by Molmil](/molmil-images/mine/3n0s) | Crystal structure of BA2930 mutant (H183A) in complex with AcCoA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-14 | Release date: | 2010-06-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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8UAI
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![BU of 8uai by Molmil](/molmil-images/mine/8uai) | |
5LUU
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![BU of 5luu by Molmil](/molmil-images/mine/5luu) | Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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4BZY
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![BU of 4bzy by Molmil](/molmil-images/mine/4bzy) | Crystal structure of human glycogen branching enzyme (GBE1) | Descriptor: | 1,4-ALPHA-GLUCAN-BRANCHING ENZYME | Authors: | Froese, D.S, Krojer, T, Goubin, S, Strain-Damerell, C, Mahajan, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | Deposit date: | 2013-07-30 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Glycogen Branching Enzyme Deficiency and Pharmacologic Rescue by Rational Peptide Design. Hum.Mol.Genet., 24, 2015
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5ENF
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![BU of 5enf by Molmil](/molmil-images/mine/5enf) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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1KR4
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![BU of 1kr4 by Molmil](/molmil-images/mine/1kr4) | Structure Genomics, Protein TM1056, cutA | Descriptor: | Protein TM1056, cutA | Authors: | Savchenko, A, Zhang, R, Joachimiak, A, Edwards, A, Akarina, T, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-01-08 | Release date: | 2002-08-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray crystal structure of CutA from Thermotoga maritima at 1.4 A resolution. Proteins, 54, 2004
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5ENH
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![BU of 5enh by Molmil](/molmil-images/mine/5enh) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3IRU
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![BU of 3iru by Molmil](/molmil-images/mine/3iru) | Crystal structure of phoshonoacetaldehyde hydrolase like protein from Oleispira antarctica | Descriptor: | SODIUM ION, phoshonoacetaldehyde hydrolase like protein | Authors: | Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-08-24 | Release date: | 2009-09-01 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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1ZKI
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![BU of 1zki by Molmil](/molmil-images/mine/1zki) | Structure of conserved protein PA5202 from Pseudomonas aeruginosa | Descriptor: | ACETIC ACID, hypothetical protein PA5202 | Authors: | Cuff, M.E, Evdokimova, E, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-02 | Release date: | 2005-06-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801. Biochem.J., 444, 2012
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3LMB
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![BU of 3lmb by Molmil](/molmil-images/mine/3lmb) | The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS | Descriptor: | Uncharacterized protein | Authors: | Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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3LNP
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![BU of 3lnp by Molmil](/molmil-images/mine/3lnp) | Crystal Structure of Amidohydrolase family Protein OLEI01672_1_465 from Oleispira antarctica | Descriptor: | ACETIC ACID, Amidohydrolase family Protein OLEI01672_1_465, CALCIUM ION, ... | Authors: | Kim, Y, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-02 | Release date: | 2010-02-16 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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5A7W
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![BU of 5a7w by Molmil](/molmil-images/mine/5a7w) | Crystal structure of human JMJD2A in complex with compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7S
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![BU of 5a7s by Molmil](/molmil-images/mine/5a7s) | Crystal structure of human JMJD2A in complex with compound 44 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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6TXS
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![BU of 6txs by Molmil](/molmil-images/mine/6txs) | The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide | Descriptor: | CD44 antigen, Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-14 | Release date: | 2020-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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6TXQ
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![BU of 6txq by Molmil](/molmil-images/mine/6txq) | The high resolution structure of the FERM domain and helical linker of human moesin | Descriptor: | ACETATE ION, Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-14 | Release date: | 2020-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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5A7N
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![BU of 5a7n by Molmil](/molmil-images/mine/5a7n) | Crystal structure of human JMJD2A in complex with compound 43 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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2KKY
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![BU of 2kky by Molmil](/molmil-images/mine/2kky) | Solution Structure of C-terminal domain of oxidized NleG2-3 (residue 90-191) from Pathogenic E. coli O157:H7. Northeast Structural Genomics Consortium and Midwest Center for Structural Genomics target ET109A | Descriptor: | Uncharacterized protein ECs2156 | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Claude, M, Singer, A, Edwards, A, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NleG Type 3 effectors from enterohaemorrhagic Escherichia coli are U-Box E3 ubiquitin ligases. Plos Pathog., 6, 2010
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5A7P
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![BU of 5a7p by Molmil](/molmil-images/mine/5a7p) | Crystal structure of human JMJD2A in complex with compound 36 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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2HMC
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![BU of 2hmc by Molmil](/molmil-images/mine/2hmc) | The Crystal Structure of Dihydrodipicolinate Synthase DapA from Agrobacterium tumefaciens | Descriptor: | Dihydrodipicolinate synthase, MAGNESIUM ION | Authors: | Kim, Y, Zhang, R, Xu, X, Zheng, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-07-11 | Release date: | 2006-09-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of Dihydrodipicolinate Synthase DapA from Agrobacterium tumefaciens To be Published, 2006
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3KZL
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![BU of 3kzl by Molmil](/molmil-images/mine/3kzl) | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-12-08 | Release date: | 2009-12-22 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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