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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
3TEK
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BU of 3tek by Molmil
ThermoDBP: a non-canonical single-stranded DNA binding protein with a novel structure and mechanism
分子名称: ThermoDBP-single stranded DNA binding protein
著者White, M.F, Paytubi, S, Liu, H, Graham, S, McMahon, S.A, Naismith, J.H.
登録日2011-08-15
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Displacement of the canonical single-stranded DNA-binding protein in the Thermoproteales.
Proc.Natl.Acad.Sci.USA, 109, 2012
2MLB
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BU of 2mlb by Molmil
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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BU of 2mn4 by Molmil
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
3VPN
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BU of 3vpn by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human
to be published
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
3VPO
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BU of 3vpo by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human
to be published
2IX2
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BU of 2ix2 by Molmil
Crystal structure of the heterotrimeric PCNA from Sulfolobus solfataricus
分子名称: DNA POLYMERASE SLIDING CLAMP A, DNA POLYMERASE SLIDING CLAMP B, DNA POLYMERASE SLIDING CLAMP C
著者Williams, G.J, Johnson, K, McMahon, S.A, Carter, L, Oke, M, Liu, H, Taylor, G.L, White, M.F, Naismith, J.H.
登録日2006-07-05
公開日2006-10-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the Heterotrimeric PCNA from Sulfolobus Solfataricus.
Acta Crystallogr.,Sect.F, 62, 2006
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
4Q5W
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BU of 4q5w by Molmil
Crystal structure of extended-Tudor 9 of Drosophila melanogaster
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Maternal protein tudor
著者Ren, R, Liu, H, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
登録日2014-04-17
公開日2014-05-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
3ZIF
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BU of 3zif by Molmil
Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly
分子名称: HEXON PROTEIN, PENTON PROTEIN, PIX, ...
著者Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P.
登録日2013-01-09
公開日2014-01-22
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates
Virology, 450, 2014
2JGT
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BU of 2jgt by Molmil
Low resolution structure of SPT
分子名称: 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2007-02-14
公開日2007-05-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis.
J.Mol.Biol., 370, 2007
5ZTL
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BU of 5ztl by Molmil
Non-cryogenic structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, S.Y, Liu, H, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
3ZFV
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BU of 3zfv by Molmil
Crystal structure of an archaeal CRISPR-associated Cas6 nuclease
分子名称: CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS6 1, GLYCEROL
著者Reeks, J, Liu, H, White, M.F, Naismith, J.H.
登録日2012-12-12
公開日2013-04-03
最終更新日2013-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a Dimeric Crenarchaeal Cas6 Enzyme with an Atypical Active Site for Crispr RNA Processing
Biochem.J., 452, 2013
4A3O
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BU of 4a3o by Molmil
Crystal structure of the USP15 DUSP-UBL monomer
分子名称: GLYCEROL, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15
著者Elliott, P.R, Liu, H, Pastok, M.W, Grossmann, G.J, Rigden, D.J, Clague, M.J, Urbe, S, Barsukov, I.L.
登録日2011-10-03
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Variability of the Ubiquitin Specific Protease Dusp-Ubl Double Domains.
FEBS Lett., 585, 2011
4A3P
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BU of 4a3p by Molmil
Structure of USP15 DUSP-UBL deletion mutant
分子名称: ACETATE ION, IODIDE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15
著者Elliott, P.R, Liu, H, Pastok, M.W, Grossmann, G.J, Rigden, D.J, Clague, M.J, Urbe, S, Barsukov, I.L.
登録日2011-10-03
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Variability of the Ubiquitin Specific Protease Dusp-Ubl Double Domains.
FEBS Lett., 585, 2011
4AVR
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BU of 4avr by Molmil
Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa
分子名称: PA4485
著者McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H.
登録日2012-05-29
公開日2013-01-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
6JLE
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BU of 6jle by Molmil
Crystal structure of MORN4/Myo3a complex
分子名称: CITRIC ACID, GLYCEROL, MORN repeat-containing protein 4, ...
著者Li, J, Liu, H, Raval, M.H, Wan, J, Yengo, C.M, Liu, W, Zhang, M.
登録日2019-03-05
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the MORN4/Myo3a Tail Complex Reveals MORN Repeats as Protein Binding Modules.
Structure, 27, 2019
8HND
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BU of 8hnd by Molmil
Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate
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, Solute carrier organic anion transporter family member 1B1, ...
著者Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNC
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BU of 8hnc by Molmil
Cryo-EM structure of human OATP1B1 in complex with bilirubin
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, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
著者Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8JPC
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BU of 8jpc by Molmil
cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPD
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BU of 8jpd by Molmil
Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes
分子名称: Beta-adrenergic receptor kinase 1, STAUROSPORINE
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPB
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BU of 8jpb by Molmil
cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPE
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BU of 8jpe by Molmil
Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
8JPF
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BU of 8jpf by Molmil
Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023

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