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7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Monteltione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4DEQ
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BU of 4deq by Molmil
Structure of the Neuropilin-1/VEGF-A complex
分子名称: Neuropilin-1, Vascular endothelial growth factor A, PHOSPHATE ION
著者Vander Kooi, C.W.
登録日2012-01-21
公開日2012-02-08
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structural Basis for Selective Vascular Endothelial Growth Factor-A (VEGF-A) Binding to Neuropilin-1.
J.Biol.Chem., 287, 2012
8ZF4
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BU of 8zf4 by Molmil
Cryo-EM structure of the receptor of xGPR4-Gs complex in pH6.2
分子名称: G-protein coupled receptor 4
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZFB
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BU of 8zfb by Molmil
Cryo-EM structure of the receptor of xtGPR4-Gs complex in pH7.2
分子名称: G-protein coupled receptor 4
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZF7
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BU of 8zf7 by Molmil
Cryo-EM structure of the receptor of xGPR4-Gs complex in pH6.7
分子名称: G-protein coupled receptor 4
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZFC
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BU of 8zfc by Molmil
Cryo-EM structure of the mmGPR4-Gs complex in pH7.6
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wen, X, Rong, N.K, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZFE
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BU of 8zfe by Molmil
Cryo-EM structure of the mmGPR4-Gs receptor in pH7.2
分子名称: G-protein coupled receptor 4
著者Wen, X, Rong, N.K, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZFA
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BU of 8zfa by Molmil
Cryo-EM structure of the xtGPR4-Gs complex in pH7.2
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZF9
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BU of 8zf9 by Molmil
Cryo-EM structure of the mmGPR4-Gs complex in pH7.2
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wen, X, Rong, N.K, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZD1
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BU of 8zd1 by Molmil
Cryo-EM structure of the xGPR4-Gs complex in pH6.2
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-04-30
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZF6
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BU of 8zf6 by Molmil
Cryo-EM structure of the xGPR4-Gs complex in pH6.7
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Wen, X, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
8ZFD
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BU of 8zfd by Molmil
Cryo-EM structure of the mmGPR4-Gs receptor in pH7.6
分子名称: G-protein coupled receptor 4
著者Wen, X, Rong, N.K, Yang, F, Sun, J.P.
登録日2024-05-07
公開日2025-02-26
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Evolutionary study and structural basis of proton sensing by Mus GPR4 and Xenopus GPR4.
Cell, 188, 2025
7KVV
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BU of 7kvv by Molmil
Crystal structure of Squash RNA aptamer in complex with DFHBI-1T
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, Squash RNA aptamer bound to DFHO
著者Truong, L, Ferre-D'Amare, A.R.
登録日2020-11-28
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
7KVT
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BU of 7kvt by Molmil
Crystal structure of Squash RNA aptamer in complex with DFHBI-1T with iridium (III) ions
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
著者Truong, L, Ferre-D'Amare, A.R.
登録日2020-11-28
公開日2022-01-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
7KVU
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BU of 7kvu by Molmil
Crystal structure of Squash RNA aptamer in complex with DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ...
著者Truong, L, Ferre-D'Amare, A.R.
登録日2020-11-28
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold.
Nat.Chem.Biol., 18, 2022
3N6M
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BU of 3n6m by Molmil
Crystal structure of EV71 RdRp in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, NICKEL (II) ION, RNA-dependent RNA polymerase
著者Wu, Y, Lou, Z.Y, Miao, Y, Yu, Y, Rao, Z.H.
登録日2010-05-26
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of EV71 RNA-dependent RNA polymerase in complex with substrate and analogue provide a drug target against the hand-foot-and-mouth disease pandemic in China.
Protein Cell, 1, 2010
7MU0
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BU of 7mu0 by Molmil
MtbEttA in the ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Energy-dependent translational throttle protein EttA, MAGNESIUM ION
著者Cui, Z, Zhang, J.
登録日2021-05-14
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
4GGL
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BU of 4ggl by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
分子名称: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Creighton, C.J, Tari, L.W.
登録日2012-08-06
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
3N6L
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BU of 3n6l by Molmil
The crystal structure of RNA-dependent RNA polymerase of EV71 virus
分子名称: NICKEL (II) ION, RNA-dependent RNA polymerase
著者Wu, Y, Rao, Z.H.
登録日2010-05-26
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of EV71 RNA-dependent RNA polymerase in complex with substrate and analogue provide a drug target against the hand-foot-and-mouth disease pandemic in China.
Protein Cell, 1, 2010
4GFN
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BU of 4gfn by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic
分子名称: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Trzoss, M, Tari, L.W.
登録日2012-08-03
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HCU
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BU of 4hcu by Molmil
Crystal structure of ITK in complext with compound 40
分子名称: 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.
登録日2012-10-01
公開日2012-11-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
4LWP
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BU of 4lwp by Molmil
Crystal structure of PRMT6-SAH
分子名称: Arginine N-methyltransferase, putative, IODIDE ION, ...
著者Zhu, Y, Wang, C, Shi, Y, Teng, M.
登録日2013-07-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014

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件を2025-07-09に公開中

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