5V9I
 
 | | Crystal structure of catalytic domain of G9a with MS0105 | | 分子名称: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | | 著者 | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-03-23 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal structure of catalytic domain of G9a with MS0105
to be published
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5VBT
 | | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor | | 分子名称: | UBH04 | | 著者 | DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2017-03-30 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
to be published
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5T0V
 | | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1 | | 分子名称: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | 著者 | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | | 登録日 | 2016-08-16 | | 公開日 | 2016-08-31 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (17.5 Å) | | 主引用文献 | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
J. Biol. Chem., 291, 2016
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5UEC
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | | 分子名称: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2016-12-30 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5UAP
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | | 分子名称: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2016-12-19 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5V1V
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5UPW
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5V84
 | | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | | 分子名称: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | | 著者 | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | | 登録日 | 2017-03-21 | | 公開日 | 2017-06-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
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5UV6
 | | Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E. | | 登録日 | 2017-02-19 | | 公開日 | 2018-03-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.65002 Å) | | 主引用文献 | Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions.
Nat Commun, 10, 2019
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5U55
 | | Psf4 in complex with Mn2+ and (S)-2-HPP | | 分子名称: | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION | | 著者 | Chekan, J.R, Nair, S.K. | | 登録日 | 2016-12-06 | | 公開日 | 2017-01-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5U5D
 | | Psf4 in complex with Mn2+ and (R)-2-HPP | | 分子名称: | (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION, [(2R)-2-hydroxypropyl]phosphonic acid | | 著者 | Chekan, J.R, Nair, S.K. | | 登録日 | 2016-12-06 | | 公開日 | 2017-01-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5UW5
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5UND
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5V9T
 | | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | | 分子名称: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | | 著者 | Kiefer, J.R, Liang, J, Vinogradova, M. | | 登録日 | 2017-03-23 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5VBB
 | | Human RNA Pseudouridylate Synthase Domain Containing 1 | | 分子名称: | CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ... | | 著者 | DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-03-29 | | 公開日 | 2017-04-19 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Human RNA Pseudouridylate Synthase Domain Containing 1
to be published
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5UW7
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5TBS
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with adenine | | 分子名称: | ADENINE, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2016-09-13 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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5T6K
 | | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | | 分子名称: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | 著者 | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-01 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
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5T8I
 | | PI3Kdelta in complex with the inhibitor GS-9901 | | 分子名称: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Somoza, J.R, Villasenor, A. | | 登録日 | 2016-09-07 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
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5TCM
 | | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein | | 著者 | Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-15 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
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5T01
 | | Human c-Jun DNA binding domain homodimer in complex with methylated DNA | | 分子名称: | DNA (5'-D(*AP*AP*TP*GP*GP*AP*(5CM)P*GP*AP*GP*TP*CP*AP*TP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*GP*TP*CP*CP*AP*T)-3'), Transcription factor AP-1 | | 著者 | Hong, S, Horton, J.R, Cheng, X. | | 登録日 | 2016-08-15 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
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5SV3
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5UFG
 | | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | | 分子名称: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Halpert, J.R. | | 登録日 | 2017-01-04 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5U3I
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | | 分子名称: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | 登録日 | 2016-12-02 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
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5TRE
 | | Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers | | 分子名称: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | 著者 | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G. | | 登録日 | 2016-10-26 | | 公開日 | 2017-06-07 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (15.6 Å) | | 主引用文献 | Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
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