7UTY
| First bromodomain of BRD4 liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-28 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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7UUU
| First bromodomain of BRDT liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-29 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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4WSK
| Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone | 分子名称: | Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ... | 著者 | Davies, G.J. | 登録日 | 2014-10-28 | 公開日 | 2014-11-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases. Chem Sci, 6, 2015
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5I24
| Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021 | 分子名称: | (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Wu, L, Davies, G.J. | 登録日 | 2016-02-08 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes. Acs Cent.Sci., 2, 2016
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6C5B
| Crystal Structure Analysis of LaPhzM | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, FORMIC ACID, Methyltransferase, ... | 著者 | Beltran, D.G, Schacht, A, Zhang, L. | 登録日 | 2018-01-15 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin. ACS Chem. Biol., 13, 2018
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4KMA
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4KMH
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4KM9
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4KMD
| Crystal structure of Sufud60-Gli1p | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ... | 著者 | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | 登録日 | 2013-05-08 | 公開日 | 2013-11-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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4KM8
| Crystal structure of Sufud60 | 分子名称: | Suppressor of fused homolog | 著者 | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | 登録日 | 2013-05-08 | 公開日 | 2013-11-20 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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1AHJ
| NITRILE HYDRATASE | 分子名称: | FE (III) ION, NITRILE HYDRATASE (SUBUNIT ALPHA), NITRILE HYDRATASE (SUBUNIT BETA) | 著者 | Huang, W, Schneider, G, Lindqvist, Y. | 登録日 | 1997-04-05 | 公開日 | 1998-04-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of nitrile hydratase reveals a novel iron centre in a novel fold. Structure, 5, 1997
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7E1Q
| Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori | 分子名称: | 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Zhou, J.S, Zhang, L, Zhang, L. | 登録日 | 2021-02-03 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1R
| Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP | 分子名称: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | 著者 | Zhou, J.S, Zhang, L, Zhang, L. | 登録日 | 2021-02-03 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.795 Å) | 主引用文献 | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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7E1S
| Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP | 分子名称: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | 著者 | Zhou, J.S, Zhang, L, Zhang, L. | 登録日 | 2021-02-03 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis. Nat Commun, 12, 2021
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1QHW
| PURPLE ACID PHOSPHATASE FROM RAT BONE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PROTEIN (PURPLE ACID PHOSPHATASE), ... | 著者 | Lindqvist, Y, Johansson, E, Kaija, H, Vihko, P, Schneider, G. | 登録日 | 1999-03-26 | 公開日 | 1999-09-15 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Three-dimensional structure of a mammalian purple acid phosphatase at 2.2 A resolution with a mu-(hydr)oxo bridged di-iron center. J.Mol.Biol., 291, 1999
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7NXJ
| Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | 登録日 | 2021-03-18 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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7NXK
| Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | 登録日 | 2021-03-18 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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8TBF
| Tricomplex of RMC-7977, KRAS WT, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8H7Z
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8H7L
| Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ... | 著者 | Liu, Z, Yan, A, Gao, Y. | 登録日 | 2022-10-20 | 公開日 | 2023-08-30 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | 主引用文献 | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants. Nat Commun, 15, 2024
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8TBG
| Tricomplex of RMC-7977, HRAS WT, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | 著者 | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBH
| Tricomplex of RMC-7977, KRAS G12R, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBJ
| Tricomplex of RMC-7977, KRAS G12A, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBK
| Tricomplex of RMC-7977, KRAS G12C, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBI
| Tricomplex of RMC-7977, NRAS WT, and CypA | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase NRas, MAGNESIUM ION, ... | 著者 | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | 登録日 | 2023-06-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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