4H12
 
 | | The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-09-10 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
|
|
6CHH
 | | Structure of human NNMT in complex with bisubstrate inhibitor MS2756 | | 分子名称: | (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase | | 著者 | Babault, N, Liu, J, Jin, J. | | 登録日 | 2018-02-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
|
|
4FMU
 | | Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF | | 分子名称: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-06-18 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
|
|
8P29
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ... | | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | | 登録日 | 2023-05-15 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
|
|
8PON
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
|
|
8POM
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
|
|
8POJ
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
|
|
8PUX
 | | TEAD2 with a covalent inhibitor | | 分子名称: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | | 登録日 | 2023-07-17 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
|
|
8PUY
 | | TEAD2 with a covalent inhibitor | | 分子名称: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | | 登録日 | 2023-07-17 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
|
|
4JLG
 | | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | | 分子名称: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | | 著者 | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-12 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | | 主引用文献 | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5ELZ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-05 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
|
|
3SMR
 | | Crystal structure of human WD repeat domain 5 with compound | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
|
|
6UE6
 | | PWWP1 domain of NSD2 in complex with MR837 | | 分子名称: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2.
J.Med.Chem., 64, 2021
|
|
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
|
|
2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | 分子名称: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | 著者 | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | 登録日 | 2009-03-31 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
|
|
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
|
|
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
|
|
3I3T
 | | Crystal structure of covalent ubiquitin-USP21 complex | | 分子名称: | ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 21, ... | | 著者 | Neculai, D, Avvakumov, G.V, Walker, J.R, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-06-30 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
|
|
3IGO
 | | Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 | | 分子名称: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-07-28 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
|
|
6G25
 | | X-ray structure of NSD3-PWWP1 in complex with compound 4 | | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6G2B
 | | X-ray structure of NSD3-PWWP1 in complex with compound 8 | | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6G2O
 | | X-ray structure of NSD3-PWWP1 in complex with compound BI-9321 | | 分子名称: | Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6G29
 | | X-ray structure of NSD3-PWWP1 in complex with compound 6 | | 分子名称: | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6G2E
 | | X-ray structure of NSD3-PWWP1 in complex with compound 13 | | 分子名称: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
6G2F
 | | X-ray structure of NSD3-PWWP1 in complex with compound 16 | | 分子名称: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
|
|
