5C1U
 
 | | Crystal structure of EV71 3C Proteinase in complex with Compound Xb | | 分子名称: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase | | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | 登録日 | 2015-06-15 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5C1X
 | | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | 登録日 | 2015-06-15 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5CA1
 | | Crystal structure of T2R-TTL-Nocodazole complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | 著者 | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | 登録日 | 2015-06-29 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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5C8Y
 | | Crystal structure of T2R-TTL-Plinabulin complex | | 分子名称: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | 登録日 | 2015-06-26 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | | 主引用文献 | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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7TCQ
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5CA0
 | | Crystal structure of T2R-TTL-Lexibulin complex | | 分子名称: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | 登録日 | 2015-06-29 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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1UNE
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5C1Y
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | | 分子名称: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | 登録日 | 2015-06-15 | | 公開日 | 2016-06-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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4M37
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5CB4
 | | Crystal structure of T2R-TTL-Tivantinib complex | | 分子名称: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | 登録日 | 2015-06-30 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.193 Å) | | 主引用文献 | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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6OT1
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6OSY
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4FZ3
 | | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | | 分子名称: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | 著者 | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | | 登録日 | 2012-07-06 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
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4ZOL
 | | Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | | 分子名称: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Zhang, R. | | 登録日 | 2015-05-06 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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7XED
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4ZHQ
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4ZI7
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8GVJ
 | | Crystal structure of cMET kinase domain bound by D6808 | | 分子名称: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | | 著者 | Chen, Y.H, Qu, L.Z. | | 登録日 | 2022-09-15 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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4QOC
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5H65
 | | Crystal structure of human POT1 and TPP1 | | 分子名称: | Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION | | 著者 | Chen, C, Wu, J, Lei, M. | | 登録日 | 2016-11-10 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
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8FQ7
 | | Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils | | 分子名称: | GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils | | 著者 | Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S. | | 登録日 | 2023-01-05 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1KBR
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1AUI
 | | HUMAN CALCINEURIN HETERODIMER | | 分子名称: | CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ... | | 著者 | Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E. | | 登録日 | 1997-08-27 | | 公開日 | 1997-12-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
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7YF5
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1IM6
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