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4U7O
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BU of 4u7o by Molmil
Active histidine kinase bound with ATP
分子名称: AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
5J3I
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BU of 5j3i by Molmil
NMR solution structure of [Sp, Sp]-PT dsDNA
分子名称: DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
著者Lan, W, Hu, Z, Cao, C.
登録日2016-03-30
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
4LNP
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BU of 4lnp by Molmil
The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
分子名称: Sorbin and SH3 domain-containing protein 1, Vinculin
著者Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2013-07-11
公開日2014-05-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
4LN2
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BU of 4ln2 by Molmil
The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
分子名称: Sorbin and SH3 domain-containing protein 1, proline rich peptide
著者Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2013-07-11
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
5XLT
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BU of 5xlt by Molmil
The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin
分子名称: (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2017-05-11
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design
Biochem. Biophys. Res. Commun., 493, 2017
6LOX
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BU of 6lox by Molmil
Crystal Structure of human glutaminase with macrocyclic inhibitor
分子名称: (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial
著者Bian, J, Li, Z, Xu, X, Wang, J, Li, L.
登録日2020-01-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
4U7N
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BU of 4u7n by Molmil
Inactive structure of histidine kinase
分子名称: Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
6KZ6
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BU of 6kz6 by Molmil
Crystal structure of ASFV dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION
著者Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W.
登録日2019-09-23
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020
7FD2
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BU of 7fd2 by Molmil
Cryo-EM structure of an alphavirus, Getah virus
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, Z, Liu, C, Wang, A.
登録日2021-07-15
公開日2022-08-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
9C96
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BU of 9c96 by Molmil
Cryo-EM structure of TAP binding protein related (TAPBPR) in complex with HLA-A*02:01 bound to a suboptimal peptide.
分子名称: Beta-2-microglobulin, LYS-ILE-LEU-GLY-PHE-VAL, MHC class I antigen, ...
著者Pumroy, R.P, Mallik, L, Sun, Y, Moiseenkova-Bell, Y.V, Sgourakis, N.G.
登録日2024-06-13
公開日2025-01-22
最終更新日2025-01-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献CryoEM structure of an MHC-I/TAPBPR peptide-bound intermediate reveals the mechanism of antigen proofreading.
Proc.Natl.Acad.Sci.USA, 122, 2025
8HL5
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BU of 8hl5 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16S rRNA (1493-MER), 23S rRNA (2991-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2023-10-04
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (5.72 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
9N93
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BU of 9n93 by Molmil
Human TMEM63A mutant V53M lipid-open state
分子名称: CSC1-like protein 1
著者Zheng, W, Fu, T.M, Holt, J.R.
登録日2025-02-10
公開日2025-06-11
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural and functional basis of mechanosensitive TMEM63 channelopathies.
Neuron, 2025
9N95
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BU of 9n95 by Molmil
Human TMEM63A mutant V53M closed state
分子名称: CSC1-like protein 1
著者Zheng, W, Fu, T.M, Holt, J.R.
登録日2025-02-10
公開日2025-06-11
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural and functional basis of mechanosensitive TMEM63 channelopathies.
Neuron, 2025
8HL4
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BU of 8hl4 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16s rRNA (1493-MER), 23s rRNA (3000-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2023-11-29
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (4.62 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
8HL1
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BU of 8hl1 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16s rRNA (1493-MER), 23s rRNA (3000-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2024-01-17
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
1CLK
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BU of 1clk by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES DIASTATICUS NO.7 STRAIN M1033 XYLOSE ISOMERASE AT 1.9 A RESOLUTION WITH PSEUDO-I222 SPACE GROUP
分子名称: COBALT (II) ION, MAGNESIUM ION, XYLOSE ISOMERASE
著者Niu, L, Teng, M, Zhu, X, Gong, W.
登録日1999-04-29
公開日2000-05-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
5XSD
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BU of 5xsd by Molmil
XylFII-LytSN complex mutant - D103A
分子名称: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS
著者Li, J.X, Wang, C.Y, Zhang, P.
登録日2017-06-13
公開日2017-08-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6KZQ
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BU of 6kzq by Molmil
structure of PTP-MEG2 and NSF-pY83 peptide complex
分子名称: NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9
著者Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
登録日2019-09-25
公開日2020-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
6L03
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BU of 6l03 by Molmil
structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex
分子名称: Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide
著者Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
登録日2019-09-25
公開日2020-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
9BPF
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BU of 9bpf by Molmil
Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-07
公開日2024-08-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024
5XSS
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BU of 5xss by Molmil
XylFII molecule
分子名称: Periplasmic binding protein/LacI transcriptional regulator, beta-D-xylopyranose
著者Li, J.X, Wang, C.Y, Zhang, P.
登録日2017-06-15
公開日2017-08-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
9BOO
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BU of 9boo by Molmil
Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-05
公開日2024-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024
6XP5
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Head-Middle module of Mediator
分子名称: HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ...
著者Zhang, H.Q, Chen, D.C, Kornberg, R.D.
登録日2020-07-08
公開日2021-03-03
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mediator structure and conformation change.
Mol.Cell, 81, 2021

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件を2025-07-09に公開中

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