6RWN
 
 | | SIVrcm intasome in complex with dolutegravir | | 分子名称: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | | 著者 | Cherepanov, P, Nans, A, Cook, N. | | 登録日 | 2019-06-05 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
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6RWM
 | | SIVrcm intasome in complex with bictegravir | | 分子名称: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | | 著者 | Cherepanov, P, Nans, A, Cook, N. | | 登録日 | 2019-06-05 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
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6GF7
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5YVF
 | | Crystal structure of BFA1 | | 分子名称: | BFA1 | | 著者 | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | | 登録日 | 2017-11-25 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
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6GF8
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6GF6
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8WY7
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WY3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8WYG
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | 登録日 | 2016-12-08 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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8WXY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | | 分子名称: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | 登録日 | 2023-10-30 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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6M31
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5XA6
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2ZNH
 | | Crystal Structure of a Domain-Swapped Serpin Dimer | | 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, Antithrombin-III, ... | | 著者 | Yamasaki, M, Huntington, J.A. | | 登録日 | 2008-04-25 | | 公開日 | 2008-10-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of a stable dimer reveals the molecular basis of serpin polymerization
Nature, 455, 2008
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4HK7
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4HK5
 | | Crystal structure of Cordyceps militaris IDCase in apo form | | 分子名称: | Uracil-5-carboxylate decarboxylase, ZINC ION | | 著者 | Xu, S, Zhu, J, Ding, J. | | 登録日 | 2012-10-15 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
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7CLD
 | | Crystal structure of T2R-TTL-Cevipabulin complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, CALCIUM ION, ... | | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | 登録日 | 2020-07-20 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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7DP8
 | | Crystal structure of T2R-TTL-Cevipabulin-eribulin complex | | 分子名称: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ... | | 著者 | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | | 登録日 | 2020-12-18 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.446 Å) | | 主引用文献 | Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
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4HJW
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6DAN
 | | PhdJ WT 2 Angstroms resolution | | 分子名称: | CHLORIDE ION, PhdJ | | 著者 | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | | 登録日 | 2018-05-01 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | | 主引用文献 | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
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6SLU
 | | Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,11) | | 分子名称: | Gag protein | | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | 登録日 | 2019-08-20 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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6A40
 | | complex structure of Alginate lyase AlyF-OU02 with G4 | | 分子名称: | alginate lyase AlyF-OU02, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | | 著者 | Liu, W.Z, Lyu, Q.Q, Zhang, K.K. | | 登録日 | 2018-06-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
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6DAO
 | | NahE WT selenomethionine | | 分子名称: | Trans-O-hydroxybenzylidenepyruvate hydratase-aldolase | | 著者 | Medellin, B.P, LeVieux, J.A, Zhang, Y.J, Whitman, C.P. | | 登録日 | 2018-05-01 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.939 Å) | | 主引用文献 | Structural Characterization of the Hydratase-Aldolases, NahE and PhdJ: Implications for the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily.
Biochemistry, 57, 2018
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6SKN
 | | Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8) | | 分子名称: | Gag protein | | 著者 | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | 登録日 | 2019-08-16 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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1TY4
 | | Crystal structure of a CED-9/EGL-1 complex | | 分子名称: | Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator | | 著者 | Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y. | | 登録日 | 2004-07-07 | | 公開日 | 2004-09-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4
Mol.Cell, 15, 2004
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