2R7L
 
 | | Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ATP and AICAR | | Descriptor: | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE-5'-TRIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... | | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | | Deposit date: | 2007-09-09 | | Release date: | 2007-12-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
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2R9B
 | | Structural Analysis of Plasmepsin 2 from Plasmodium falciparum complexed with a peptide-based inhibitor | | Descriptor: | Plasmepsin-2, peptide-based inhibitor | | Authors: | Liu, P, Marzahn, M.R, Robbins, A.H, McKenna, R, Dunn, B.M. | | Deposit date: | 2007-09-12 | | Release date: | 2007-11-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis.
Biochemistry, 48, 2009
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2R97
 | | Crystal structure of E. coli WrbA in complex with FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | | Deposit date: | 2007-09-12 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
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4OJ8
 | | Crystal structure of carbapenem synthase in complex with (3S,5S)-carbapenam | | Descriptor: | (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (5R)-carbapenem-3-carboxylate synthase, 2-OXOGLUTARIC ACID, ... | | Authors: | Boal, A.K, Rosenzweig, A.C. | | Deposit date: | 2014-01-20 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of the C5 stereoinversion reaction in the biosynthesis of carbapenem antibiotics.
Science, 343, 2014
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2R9W
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | Descriptor: | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Babaoglu, K, Shoichet, B.K. | | Deposit date: | 2007-09-13 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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4OKG
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2RB1
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2R9X
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | Descriptor: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Babaoglu, K, Shoichet, B.K. | | Deposit date: | 2007-09-13 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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2RBT
 | | n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ... | | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | | Deposit date: | 2007-09-19 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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2RDB
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase I100W Mutant | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE (III) ION, GLYCEROL, ... | | Authors: | Murray, L.J, Garcia-Serres, R, McCormick, M.S, Davydov, R, Naik, S, Hoffman, B.M, Huynh, B.H, Lippard, S.J. | | Deposit date: | 2007-09-21 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dioxygen activation at non-heme diiron centers: oxidation of a proximal residue in the I100W variant of toluene/o-xylene monooxygenase hydroxylase.
Biochemistry, 46, 2007
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4OV4
 | | Isopropylmalate synthase binding with ketoisovalerate | | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION | | Authors: | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | Deposit date: | 2014-02-20 | | Release date: | 2014-08-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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2RBU
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2RFH
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2RGX
 | | Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | | Authors: | Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D. | | Deposit date: | 2007-10-05 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
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4OSE
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4O8L
 | | Structure of sortase A from Streptococcus pneumoniae | | Descriptor: | Sortase | | Authors: | Misra, A, Biswas, T, Das, S, Marathe, U, Roy, R.P, Ramakumar, S. | | Deposit date: | 2013-12-28 | | Release date: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of sortase A from Streptococcus pneumoniae
To be Published
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4OTL
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2R7N
 | | Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ADP and FAICAR | | Descriptor: | 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide, 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | | Deposit date: | 2007-09-09 | | Release date: | 2007-12-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
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2RC0
 | | Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine | | Descriptor: | (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ... | | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | | Deposit date: | 2007-09-19 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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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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2RBW
 | | Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine | | Descriptor: | 5-amino-1,2-dimethylpyridinium, Cytochrome C Peroxidase, PHOSPHATE ION, ... | | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | | Deposit date: | 2007-09-19 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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2RGT
 | | Crystal Structure of Lhx3 LIM domains 1 and 2 with the binding domain of Isl1 | | Descriptor: | Fusion of LIM/homeobox protein Lhx3, linker, Insulin gene enhancer protein ISL-1, ... | | Authors: | Bhati, M, Lee, M, Guss, J.M, Matthews, J.M. | | Deposit date: | 2007-10-05 | | Release date: | 2008-08-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Implementing the LIM code: the structural basis for cell type-specific assembly of LIM-homeodomain complexes.
Embo J., 27, 2008
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4O98
 | | Crystal structure of Pseudomonas oleovorans PoOPH mutant H250I/I263W | | Descriptor: | ZINC ION, organophosphorus hydrolase | | Authors: | Luo, X.J, Kong, X.D, Zhao, J, Chen, Q, Zhou, J.H, Xu, J.H. | | Deposit date: | 2014-01-02 | | Release date: | 2014-12-03 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Biotechnol.Bioeng., 111, 2014
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4OII
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4O9Y
 | | Crystal Structure of TcdA1 | | Descriptor: | TcdA1 | | Authors: | Meusch, D, Gatsogiannis, C, Efremov, R.G, Lang, A.E, Hofnagel, O, Vetter, I.R, Aktories, K, Raunser, S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.502 Å) | | Cite: | Mechanism of Tc toxin action revealed in molecular detail.
Nature, 508, 2014
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