6NVG
| FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVK
| FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVI
| FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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2O7V
| Carboxylesterase AeCXE1 from Actinidia eriantha covalently inhibited by paraoxon | Descriptor: | CXE carboxylesterase, DIETHYL PHOSPHONATE | Authors: | Ileperuma, N.R, Marshall, S.D, Squire, C.J, Baker, H.M, Oakeshott, J.G, Russell, R.J, Plummer, K.M, Newcomb, R.D, Baker, E.N. | Deposit date: | 2006-12-11 | Release date: | 2007-02-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-Resolution Crystal Structure of Plant Carboxylesterase AeCXE1, from Actinidia eriantha, and Its Complex with a High-Affinity Inhibitor Paraoxon. Biochemistry, 46, 2007
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2O7R
| Plant carboxylesterase AeCXE1 from Actinidia eriantha with acyl adduct | Descriptor: | CXE carboxylesterase, PROPYL ACETATE | Authors: | Ileperuma, N.R, Marshall, S.D, Squire, C.J, Baker, H.M, Oakeshott, J.G, Russell, R.J, Plummer, K.M, Newcomb, R.D, Baker, E.N. | Deposit date: | 2006-12-11 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Resolution Crystal Structure of Plant Carboxylesterase AeCXE1, from Actinidia eriantha, and Its Complex with a High-Affinity Inhibitor Paraoxon. Biochemistry, 46, 2007
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2QKX
| N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU | Authors: | Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-07-11 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure and function of GlmU from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 65, 2009
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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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5E5Q
| Racemic snakin-1 in P21/c | Descriptor: | Snakin-1 | 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 (1.6 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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5E5Y
| Quasi-racemic snakin-1 in P1 before 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 (1.506 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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5TCV
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5TCW
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5U6F
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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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5U5O
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3HPS
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3HPX
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3HQ1
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3HPZ
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5UQ0
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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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3R58
| AKR1C3 complex with naproxen | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-03-18 | Release date: | 2012-03-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 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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3R7M
| AKR1C3 complex with sulindac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | Deposit date: | 2011-03-22 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 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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4XOO
| FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) | Descriptor: | Coenzyme F420:L-glutamate ligase, FLAVIN MONONUCLEOTIDE | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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4XOQ
| F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) | Descriptor: | COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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4XOM
| Coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain). | Descriptor: | Coenzyme F420:L-glutamate ligase, SULFATE ION | Authors: | Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J. | Deposit date: | 2015-01-16 | Release date: | 2016-02-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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