7P85
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4WFO
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6RSV
| Endothiapepsin in complex with 017 | 分子名称: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-05-22 | 公開日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Endothiapepsin in complex with 017 To Be Published
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4XE1
| Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | 分子名称: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | 著者 | Alterio, V, De Simone, G. | 登録日 | 2014-12-21 | 公開日 | 2015-03-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor. Org.Biomol.Chem., 13, 2015
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7PJC
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8BZF
| FC-J acetonide stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin J-acetonide, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZH
| FC-NAc stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZD
| deAc-FC stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZE
| FC-J stabilizer for ERa and 14-3-3 | 分子名称: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZG
| FC-31 stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-14 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8BZT
| FC-NAg stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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8C0L
| FC-THF stabilizer of 14-3-3 and ERalpha | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF | 著者 | Visser, E.J, Ottmann, C. | 登録日 | 2022-12-17 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer To Be Published
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6ZGZ
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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7F7W
| JAK2-JH2 | 分子名称: | 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2 | 著者 | Niu, L. | 登録日 | 2021-06-30 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms. Blood Cancer J, 12, 2022
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6ZGX
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGY
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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7PIZ
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6SCV
| Endothiapepsin in complex with ligand 69 | 分子名称: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-07-25 | 公開日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Endothiapepsin in complex with ligand 69 To Be Published
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6ZFH
| Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose | 著者 | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-17 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.439 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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7P5O
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6ZGW
| Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | 分子名称: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGV
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6RON
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6O6F
| Co-crystal structure of Mcl1 with inhibitor | 分子名称: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Huang, X. | 登録日 | 2019-03-06 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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2YV0
| Structural and Thermodynamic Analyses of E. coli ribonuclease HI Variant with Quintuple Thermostabilizing Mutations | 分子名称: | Ribonuclease HI | 著者 | Haruki, M, Motegi, T, Tadokoro, T, Koga, Y, Takano, K, Kanaya, S. | 登録日 | 2007-04-06 | 公開日 | 2008-03-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural and thermodynamic analyses of Escherichia coli RNase HI variant with quintuple thermostabilizing mutations. Febs J., 274, 2007
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