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PDB: 489 件
3SJI
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crystal structure of CVA16 3C in complex with Rupintrivir (AG7088)
分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
7U4K
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Crystal structure of human GPX4-U46C-R152H in complex with ML162
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase
著者Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
登録日2022-02-28
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4N
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Crystal structure of human GPX4-U46C in complex with RSL3
分子名称: Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
著者Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
登録日2022-02-28
公開日2022-12-07
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4M
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Crystal structure of human GPX4-U46C in complex with LOC1886
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase
著者Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
登録日2022-02-28
公開日2022-12-07
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4J
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Crystal structure of human GPX4-U46C-R152H in complex with TMT10
分子名称: Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
著者Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
登録日2022-02-28
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
分子名称: Ran guanine nucleotide release factor
著者Hu, Q, Liu, Y, Bao, X, Liu, H.
登録日2017-09-21
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
7C9O
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Crystal structure of DNA-bound CCT/NF-YB/YC complex (HD1CCT/GHD8/OsNF-YC2)
分子名称: DNA (25-MER), Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2, ...
著者Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P.
登録日2020-06-06
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
7C9P
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Crystal structure of rice histone-fold dimer GHD8/OsNF-YC2
分子名称: Nuclear transcription factor Y subunit B-11, Nuclear transcription factor Y subunit C-2
著者Shen, C, Liu, H, Guan, Z, Xing, Y, Yin, P.
登録日2020-06-06
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into DNA Recognition by CCT/NF-YB/YC Complexes in Plant Photoperiodic Flowering.
Plant Cell, 32, 2020
4MQW
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Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor (P31)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Follicle-stimulating hormone receptor, ...
著者Jiang, X, Liu, H, Chen, X, He, X.
登録日2013-09-16
公開日2014-04-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Evidence for Follicle-stimulating Hormone Receptor as a Functional Trimer.
J.Biol.Chem., 289, 2014
3SJ8
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Crystal structure of the 3C protease from coxsackievirus A16
分子名称: 3C protease
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
6DDA
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BU of 6dda by Molmil
Nurr1 Covalently Modified by a Dopamine Metabolite
分子名称: 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ...
著者Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M.
登録日2018-05-09
公開日2019-03-20
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
3SJ9
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crystal structure of the C147A mutant 3C of CVA16 in complex with FAGLRQAVTQ peptide
分子名称: 3C protease, FAGLRQAVTQ peptide
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3QTF
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BU of 3qtf by Molmil
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
分子名称: (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
著者Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I.
登録日2011-02-22
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5703 Å)
主引用文献Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
2JG2
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BU of 2jg2 by Molmil
HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
著者Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J.
登録日2007-02-07
公開日2007-05-01
最終更新日2015-11-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
7JST
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Crystal structure of SARS-CoV-2 3CL in apo form
分子名称: 3C-like proteinase, PHOSPHATE ION
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JT0
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BU of 7jt0 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576
分子名称: 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JSU
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Crystal structure of SARS-CoV-2 3CL protease in complex with GC376
分子名称: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JT7
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Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4
分子名称: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-17
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
4MBS
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Crystal Structure of the CCR5 Chemokine Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
著者Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
登録日2013-08-19
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
2MLB
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NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
分子名称: redesigned ubiquitin
著者Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
登録日2014-02-21
公開日2014-10-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
2MN4
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NMR solution structure of a computational designed protein based on structure template 1cy5
分子名称: Computational designed protein based on structure template 1cy5
著者Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
登録日2014-03-28
公開日2014-10-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
7L8K
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Crystal structure of human GPX4-U46C
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
著者Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
登録日2020-12-31
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
7L8Q
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Crystal structure of human GPX4-U46C with oxidized Cys-46
分子名称: ACETATE ION, Phospholipid hydroperoxide glutathione peroxidase
著者Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
登録日2020-12-31
公開日2021-12-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
7L8R
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Crystal structure of human GPX4-U46C mutant K48A
分子名称: Isoform Cytoplasmic of Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION
著者Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
登録日2020-12-31
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
7L8L
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Crystal structure of human R152H GPX4-U46C
分子名称: Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION
著者Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
登録日2020-12-31
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021

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