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PDB: 14 件

5YLS
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BU of 5yls by Molmil
Crystal structure of T2R-TTL-Y50 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one, ...
著者Yang, J.H, Chen, L.J.
登録日2017-10-18
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 293, 2018
5YLJ
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BU of 5ylj by Molmil
Crystal structure of T2R-TTL-Millepachine complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Chen, L.J.
登録日2017-10-17
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 293, 2018
5YL2
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BU of 5yl2 by Molmil
Crystal structure of T2R-TTL-Y28 complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Yang, T, Wen, J.L, Chen, L.J.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
8HPG
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BU of 8hpg by Molmil
Crystal structure of phenylpyruvate reductase from Lactobacillus sp. CGMCC 9967
分子名称: Phenylpyruvate reductase
著者Yang, J.H, Song, W.
登録日2022-12-12
公開日2023-12-20
実験手法X-RAY DIFFRACTION (3.895 Å)
主引用文献One-Pot Biocatalytic Transformation of L-DOPA to D-Danshensu
To Be Published
7EXC
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BU of 7exc by Molmil
Crystal structure of T2R-TTL-1129A2 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Yang, J.H, Yan, W.
登録日2021-05-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
著者Yang, J.H, Yan, W.
登録日2020-06-15
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
7EMJ
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BU of 7emj by Molmil
Crystal structure of T2R-TTL-Barbigerone complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one, CALCIUM ION, ...
著者Yang, J.H, Yan, W.
登録日2021-04-14
公開日2022-04-20
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of tubulin-barbigerone complex enables rational design of potent anticancer agents with isoflavone skeleton.
Phytomedicine, 109, 2023
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
7CLD
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BU of 7cld by Molmil
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
7DP8
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BU of 7dp8 by Molmil
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
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CDA
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BU of 7cda by Molmil
Crystal structure of T2R-TTL-PAC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CEK
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BU of 7cek by Molmil
Crystal structure of T2R-TTL-BML-284 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-23
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022

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件を2024-10-30に公開中

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