5A3T
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![BU of 5a3t by Molmil](/molmil-images/mine/5a3t) | Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid). | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2015-06-02 | 公開日 | 2015-06-17 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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6CUX
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6CUU
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5ZHN
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![BU of 5zhn by Molmil](/molmil-images/mine/5zhn) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | 分子名称: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | 登録日 | 2018-03-13 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHL
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![BU of 5zhl by Molmil](/molmil-images/mine/5zhl) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | 分子名称: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | 登録日 | 2018-03-13 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHJ
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![BU of 5zhj by Molmil](/molmil-images/mine/5zhj) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) | 分子名称: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | 登録日 | 2018-03-13 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5LF8
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![BU of 5lf8 by Molmil](/molmil-images/mine/5lf8) | Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17) | 分子名称: | ETHYL MERCURY ION, Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION | 著者 | Mathea, S, Tallant, C, Salah, E, Wang, D, Velupillai, S, Nowak, R, Oerum, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-30 | 公開日 | 2017-08-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17) To Be Published
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4CHK
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![BU of 4chk by Molmil](/molmil-images/mine/4chk) | Crystal Structure of the ARF5 oligomerization domain | 分子名称: | AUXIN RESPONSE FACTOR 5 | 著者 | Nanao, M.H, Mazzoleni, M, Thevenon, E, Brunoud, G, Vernoux, T, Parcy, F, Dumas, R. | 登録日 | 2013-12-03 | 公開日 | 2014-04-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural Basis for Oligomerisation of Auxin Transcriptional Regulators Nat.Commun., 5, 2014
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5L78
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![BU of 5l78 by Molmil](/molmil-images/mine/5l78) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | 著者 | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | 登録日 | 2016-06-02 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) To Be Published
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5O1O
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![BU of 5o1o by Molmil](/molmil-images/mine/5o1o) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | 著者 | Kopec, J, Rembeza, E, Pena, I.A, Mathea, S, Velupillai, S, Strain-Damerell, C, Goubin, S, Kupinska, K, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W. | 登録日 | 2017-05-18 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. To Be Published
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6I8L
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![BU of 6i8l by Molmil](/molmil-images/mine/6i8l) | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-20 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I8Y
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![BU of 6i8y by Molmil](/molmil-images/mine/6i8y) | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-21 | 公開日 | 2018-12-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6H4T
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![BU of 6h4t by Molmil](/molmil-images/mine/6h4t) | Crystal structure of human KDM4A in complex with compound 19a | 分子名称: | 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4O
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![BU of 6h4o by Molmil](/molmil-images/mine/6h4o) | Crystal structure of human KDM4A in complex with compound 18a | 分子名称: | 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Q
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![BU of 6h4q by Molmil](/molmil-images/mine/6h4q) | Crystal structure of human KDM4A in complex with compound 34a | 分子名称: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4W
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![BU of 6h4w by Molmil](/molmil-images/mine/6h4w) | Crystal structure of human KDM4A in complex with compound 19d | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4R
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![BU of 6h4r by Molmil](/molmil-images/mine/6h4r) | Crystal structure of human KDM4A in complex with compound 17f | 分子名称: | 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4V
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![BU of 6h4v by Molmil](/molmil-images/mine/6h4v) | Crystal structure of human KDM4A in complex with compound 34g | 分子名称: | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | 分子名称: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | 登録日 | 2018-11-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6H4U
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![BU of 6h4u by Molmil](/molmil-images/mine/6h4u) | Crystal structure of human KDM4A in complex with compound 34b | 分子名称: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4X
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![BU of 6h4x by Molmil](/molmil-images/mine/6h4x) | Crystal structure of human KDM4A in complex with compound 17b | 分子名称: | 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4S
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![BU of 6h4s by Molmil](/molmil-images/mine/6h4s) | Crystal structure of human KDM4A in complex with compound 16m | 分子名称: | 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4P
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![BU of 6h4p by Molmil](/molmil-images/mine/6h4p) | Crystal structure of human KDM4A in complex with compound 16a | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Y
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![BU of 6h4y by Molmil](/molmil-images/mine/6h4y) | Crystal structure of human KDM4A in complex with compound 17e | 分子名称: | 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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4K33
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![BU of 4k33 by Molmil](/molmil-images/mine/4k33) | Crystal Structure of FGF Receptor 3 (FGFR3) Kinase Domain Harboring the K650E Mutation, a Gain-of-Function Mutation Responsible for Thanatophoric Dysplasia Type II and Spermatocytic Seminoma | 分子名称: | Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Huang, Z, Chen, H, Mohammadi, M. | 登録日 | 2013-04-10 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3405 Å) | 主引用文献 | Structural Mimicry of A-Loop Tyrosine Phosphorylation by a Pathogenic FGF Receptor 3 Mutation. Structure, 21, 2013
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