2HLZ
 
 | | Crystal Structure of human ketohexokinase | | 分子名称: | Ketohexokinase, UNKNOWN ATOM OR ION | | 著者 | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2006-07-10 | | 公開日 | 2006-08-08 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of human ketohexokinase (CASP Target)
To be Published
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2HQQ
 | | Crystal structure of human ketohexokinase complexed to different sugar molecules | | 分子名称: | Ketohexokinase, SULFATE ION | | 著者 | Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V. | | 登録日 | 2006-07-19 | | 公開日 | 2007-07-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structures of alternatively spliced isoforms of human ketohexokinase.
Acta Crystallogr.,Sect.D, 65, 2009
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8OMJ
 | | hKHK-C in complex with cpd 37 | | 分子名称: | Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | | 著者 | Pautsch, A, Ebenhoch, R. | | 登録日 | 2023-03-31 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | | 主引用文献 | Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
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8UG1
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8OME
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8UG3
 | | Crystal structure of KHK-C and compound 23 | | 分子名称: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | | 著者 | Durbin, J.D, Guo, S.Y. | | 登録日 | 2023-10-05 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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2HW1
 | | Crystal structure of human ketohexokinase complexed to different sugar molecules | | 分子名称: | GLYCEROL, Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Trinh, C.H, Asipu, A, Bonthron, D.T, Phillips, S.E.V. | | 登録日 | 2006-07-31 | | 公開日 | 2007-07-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of alternatively spliced isoforms of human ketohexokinase.
Acta Crystallogr.,Sect.D, 65, 2009
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8OMF
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5WBM
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5WBO
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6UL7
 | | Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole | | 分子名称: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Ketohexokinase, NITRATE ION, ... | | 著者 | Gasper, W.C, Gardner, S, Allen, K.N, Tolan, D.R. | | 登録日 | 2019-10-07 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
To be Published
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3NBV
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6W0Z
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3NBW
 | | X-ray structure of ketohexokinase in complex with a pyrazole compound | | 分子名称: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ... | | 著者 | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | | 登録日 | 2010-06-04 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.341 Å) | | 主引用文献 | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
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6W0X
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5WBZ
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | 分子名称: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | | 著者 | Pandit, J. | | 登録日 | 2017-06-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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5WBQ
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3NC9
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6W0N
 | | Structure of KHK in complex with compound 2 | | 分子名称: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | | 著者 | Jasti, J. | | 登録日 | 2020-03-02 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
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8OMK
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3NC2
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3QA2
 | | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2 | | 分子名称: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | | 著者 | Abad, M.C. | | 登録日 | 2011-01-10 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.519 Å) | | 主引用文献 | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
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6W0Y
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5WBR
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | 分子名称: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | | 著者 | Pandit, J. | | 登録日 | 2017-06-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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3RO4
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