3UFY
| AKR1C3 complex with R-naproxen | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | Deposit date: | 2011-11-01 | Release date: | 2012-08-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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8G8P
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3DA8
| Crystal structure of PurN from Mycobacterium tuberculosis | Descriptor: | BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-05-28 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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3DCJ
| Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-06-03 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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8FHA
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3D8V
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3FIG
| Crystal Structure of Leucine-bound LeuA from Mycobacterium tuberculosis | Descriptor: | 2-isopropylmalate synthase, GLYCEROL, LEUCINE, ... | Authors: | Koon, N, Squire, C.J, Baker, E.N. | Deposit date: | 2008-12-11 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis. Proc.Natl.Acad.Sci.USA, 101, 2004
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3D98
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8DJ2
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8EVO
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8EVN
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8F90
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8F9L
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5TCV
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5TCW
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5U6F
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5U5O
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5UR1
| FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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5UQ0
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5TTD
| Minor pilin FctB from S. pyogenes with engineered intramolecular isopeptide bond | Descriptor: | FORMIC ACID, Maltose-binding periplasmic protein,Pilin isopeptide linkage domain protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Young, P.G, Kwon, H, Squire, C.J, Baker, E.N. | Deposit date: | 2016-11-02 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Lys-Asn isopeptide bond into an immunoglobulin-like protein domain enhances its stability. Sci Rep, 7, 2017
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5E5T
| Quasi-racemic snakin-1 in P1 after radiation damage | Descriptor: | 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ... | Authors: | Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A. | Deposit date: | 2015-10-09 | Release date: | 2016-05-18 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily. Angew.Chem.Int.Ed.Engl., 55, 2016
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2F00
| Escherichia coli MurC | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase | Authors: | Deva, T, Baker, E.N, Squire, C.J, Smith, C.A. | Deposit date: | 2005-11-10 | Release date: | 2006-10-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC). Acta Crystallogr.,Sect.D, 62, 2006
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1SR9
| Crystal Structure of LeuA from Mycobacterium tuberculosis | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, CHLORIDE ION, ... | Authors: | Koon, N, Squire, C.J, Baker, E.N. | Deposit date: | 2004-03-22 | Release date: | 2004-05-18 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis Proc.Natl.Acad.Sci.USA, 101, 2004
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6MW1
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6MW0
| Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A. | Descriptor: | METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A | Authors: | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | Deposit date: | 2018-10-29 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
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