5BWT
 
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5BWR
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5BWU
 | | X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | | 分子名称: | 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ... | | 著者 | Somers, D.O. | | 登録日 | 2015-06-08 | | 公開日 | 2015-07-01 | | 最終更新日 | 2019-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
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5BWW
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5BWX
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4AJW
 | | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | 分子名称: | 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | 著者 | Certal, V, Halley, F, Virone-Oddos, A, Delorme, C, Karlsson, A, Rak, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Carry, J.C, Abecassis, P.Y, Lejeune, P, Bonnevaux, H, Nicolas, J.P, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Below, P, Vade, I, Chatreaux, F, Lebourg, G, Pilorge, F, Angouillant-Boniface, O, Louboutin, A, Lengauer, C, Schio, L. | | 登録日 | 2012-02-20 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 55, 2012
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3K2F
 | | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma | | 分子名称: | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Temperini, C, Cecchi, A. | | 登録日 | 2009-09-30 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
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5ABW
 | | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | | 分子名称: | 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | von Nussbaum, F, Li, V.M, Schaefer, M. | | 登録日 | 2015-08-10 | | 公開日 | 2015-08-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
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4WUN
 | | Structure of FGFR1 in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE) at 1.65 angstrom | | 分子名称: | Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide | | 著者 | Squire, C.J, Yosaatmadja, C.J. | | 登録日 | 2014-11-02 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The 1.65 angstrom resolution structure of the complex of AZD4547 with the kinase domain of FGFR1 displays exquisite molecular recognition.
Acta Crystallogr.,Sect.D, 71, 2015
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6PAH
 | | HUMAN PHENYLALANINE HYDROXYLASE CATALYTIC DOMAIN DIMER WITH BOUND L-DOPA (3,4-DIHYDROXYPHENYLALANINE) INHIBITOR | | 分子名称: | 3,4-DIHYDROXYPHENYLALANINE, FE (III) ION, PHENYLALANINE 4-MONOOXYGENASE | | 著者 | Erlandsen, H, Flatmark, T, Stevens, R.C. | | 登録日 | 1998-08-20 | | 公開日 | 1999-04-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystallographic analysis of the human phenylalanine hydroxylase catalytic domain with bound catechol inhibitors at 2.0 A resolution.
Biochemistry, 37, 1998
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5UVC
 | | Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | | 分子名称: | Beta-adrenergic receptor kinase 1, N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide, SULFATE ION | | 著者 | Hoffman, I.D, Lawson, J.D. | | 登録日 | 2017-02-20 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
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5UUU
 | | Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, ... | | 著者 | Hoffman, I.D, Lawson, J.D. | | 登録日 | 2017-02-17 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.
J. Med. Chem., 60, 2017
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5BSX
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5BSY
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7ABS
 | | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | | 分子名称: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | | 著者 | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2020-09-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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5NF7
 | | Structure of Galectin-3 CRD in complex with compound 1 | | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine | | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Pilard, F.D, Teletchea, S, Ciesielski, F, Hannah, V.V, Grandjean, C. | | 登録日 | 2017-03-13 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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5NFC
 | | Structure of Galectin-3 CRD in complex with glycerol | | 分子名称: | GLYCEROL, Galectin-3 | | 著者 | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | | 登録日 | 2017-03-13 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
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4WRH
 | | AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, 5-methyl-4H-1,2,4-triazole-3-thiol, ... | | 著者 | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y. | | 登録日 | 2014-10-24 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3
To Be Published
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4MRN
 | | Structure of a bacterial Atm1-family ABC transporter | | 分子名称: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION | | 著者 | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4MRS
 | | Structure of a bacterial Atm1-family ABC transporter | | 分子名称: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, OXIDIZED GLUTATHIONE DISULFIDE, ... | | 著者 | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-19 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4MRV
 | | Structure of a bacterial Atm1-family ABC transporter | | 分子名称: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | | 著者 | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-19 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4MRP
 | | Structure of a bacterial Atm1-family ABC transporter | | 分子名称: | ABC transporter related protein, GLUTATHIONE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | 著者 | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-19 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4MRR
 | | Structure of a bacterial Atm1-family ABC transporter | | 分子名称: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, PHOSPHATE ION, ... | | 著者 | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | 登録日 | 2013-09-17 | | 公開日 | 2014-03-19 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4ZAU
 | | AZD9291 complex with wild type EGFR | | 分子名称: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | 著者 | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | | 登録日 | 2015-04-14 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
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4PAH
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