6C19
 
 | | FGFR1 kinase complex with inhibitor SN36985 | | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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6C1O
 | | FGFR1 kinase domain complexed with FIIN-1 | | Descriptor: | Fibroblast growth factor receptor 1, N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide, SULFATE ION | | Authors: | Kalyukina, M, Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | Deposit date: | 2018-01-05 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A new class of FGFR1 inhibitors
To Be Published
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6C1C
 | | FGFR1 kinase complex with inhibitor SN37116 | | Descriptor: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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3R94
 | | AKR1C3 complex with flurbiprofen | | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)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: | 2011-03-24 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.013 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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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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3R8G
 | | AKR1C3 complex with ibuprofen | | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]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: | 2011-03-24 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.799 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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3R6I
 | | AKR1C3 complex with meclofenamic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... | | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2011-03-21 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 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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3U6W
 | | Truncated M. tuberculosis LeuA (1-425) complexed with KIV | | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, GLYCEROL, ... | | Authors: | Koon, N, Baker, E.N, Squire, C.J. | | Deposit date: | 2011-10-13 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding.
Biochemistry, 51, 2012
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3R8H
 | | AKR1C3 complex with zomepirac | | 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: | 2011-03-24 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | 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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3TVB
 | | A Highly Symmetric DNA G-4 Quadruplex/drug Complex | | Descriptor: | DAUNOMYCIN, DNA (5'-D(*GP*GP*GP*G)-3'), MAGNESIUM ION, ... | | Authors: | Clark, G.R, Pytel, P.D, Squire, C.J. | | Deposit date: | 2011-09-19 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The high-resolution crystal structure of a parallel intermolecular DNA G-4 quadruplex/drug complex employing syn glycosyl linkages.
Nucleic Acids Res., 40, 2012
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3UG8
 | | AKR1C3 complex with indomethacin at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 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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3UGR
 | | AKR1C3 complex with indomethacin at pH 6.8 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 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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