3ZN2
| protein engineering of halohydrin dehalogenase | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ... | 著者 | Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B. | 登録日 | 2013-02-13 | 公開日 | 2014-03-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase. Enzyme.Microb.Technol., 70, 2015
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4IXW
| Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate | 分子名称: | CHLORIDE ION, Halohydrin dehalogenase, ethyl (2S)-oxiran-2-ylacetate | 著者 | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | 登録日 | 2013-01-28 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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4IY1
| Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound | 分子名称: | CHLORIDE ION, Halohydrin dehalogenase | 著者 | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | 登録日 | 2013-01-28 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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4IXT
| Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate | 分子名称: | CHLORIDE ION, Halohydrin dehalogenase, ethyl (3R)-4-cyano-3-hydroxybutanoate | 著者 | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | 登録日 | 2013-01-28 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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2XED
| Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate | 分子名称: | PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID | 著者 | Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G. | 登録日 | 2010-05-13 | 公開日 | 2010-08-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase. J.Am.Chem.Soc., 132, 2010
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6ZIZ
| CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-26 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZLI
| CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | 分子名称: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-30 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZL5
| CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | 分子名称: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-30 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZL3
| CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-30 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZIR
| CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-26 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZJ0
| CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18 | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ... | 著者 | Kessler, D, Fischer, G, Boettcher, J. | 登録日 | 2020-06-26 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.763 Å) | 主引用文献 | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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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
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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
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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
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6G27
| X-ray structure of NSD3-PWWP1 in complex with compound 5 | 分子名称: | 5-methyl-6-phenyl-2-piperidin-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 (1.65 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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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
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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
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6G24
| X-ray structure of NSD3-PWWP1 in complex with compound 3 | 分子名称: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, 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 (2.1 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2C
| X-ray structure of NSD3-PWWP1 in complex with compound 9 | 分子名称: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-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 (1.76 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G3T
| X-ray structure of NSD3-PWWP1 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-26 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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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
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6G3P
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4A3U
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5MW6
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5MWD
| Crystal structure of the BCL6 BTB-domain with compound 2 | 分子名称: | 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | 著者 | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2017-01-18 | 公開日 | 2017-10-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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