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6KLD
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BU of 6kld by Molmil
Structure of apo Machupo virus polymerase
分子名称: MANGANESE (II) ION, RNA-directed RNA polymerase L, ZINC ION
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
6KLE
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BU of 6kle by Molmil
Monomeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
7WZR
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BU of 7wzr by Molmil
Cryo-EM structure of Mec1-HU
分子名称: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
著者Zhang, Q, Zhang, Q.
登録日2022-02-19
公開日2023-03-08
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins.
Cell Discov, 8, 2022
6KLH
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BU of 6klh by Molmil
Dimeric structure of Machupo virus polymerase bound to vRNA promoter
分子名称: MANGANESE (II) ION, RNA (5'-R(*GP*CP*CP*UP*AP*GP*GP*AP*UP*CP*CP*AP*CP*UP*GP*UP*GP*CP*G)-3'), RNA-directed RNA polymerase L, ...
著者Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y.
登録日2019-07-30
公開日2020-03-18
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insight into arenavirus replication machinery.
Nature, 579, 2020
7Y42
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BU of 7y42 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein in complex with all-trans retinoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RETINOIC ACID, Spike glycoprotein
著者Xiang, Y, Wang, L.
登録日2022-06-13
公開日2022-07-06
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献A Retinol Derivative Inhibits SARS-CoV-2 Infection by Interrupting Spike-Mediated Cellular Entry.
Mbio, 13, 2022
9JEF
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BU of 9jef by Molmil
Cryo-EM structure of human TRPV3 in complex with linalool determined in MSP2N2 nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3~{R})-3,7-dimethylocta-1,6-dien-3-ol, Transient receptor potential cation channel subfamily V member 3
著者Lu, X, Yao, J.
登録日2024-09-03
公開日2025-03-26
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JE5
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BU of 9je5 by Molmil
Cryo-EM structure of human TRPV3 in complex with citronellal determined in MSP2N2 nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3~{S})-3,7-dimethyloct-6-enal, Transient receptor potential cation channel subfamily V member 3
著者Lu, X, Yao, J.
登録日2024-09-02
公開日2025-03-26
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JEG
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BU of 9jeg by Molmil
Cryo-EM structure of human TRPV3 in complex with isodihydrolavandulal determined in MSP2N2 nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (~{Z})-5-methyl-2-propan-2-yl-hex-2-enal, Transient receptor potential cation channel subfamily V member 3
著者Lu, X, Yao, J.
登録日2024-09-03
公開日2025-03-26
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JEE
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BU of 9jee by Molmil
Cryo-EM structure of human TRPV3 in complex with citral determined in MSP2N2 nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Geranaldehyde, Transient receptor potential cation channel subfamily V member 3
著者Lu, X, Yao, J.
登録日2024-09-03
公開日2025-03-26
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
9JDM
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BU of 9jdm by Molmil
Cryo-EM structure of human TRPV3 determined in MSP2N2 nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Transient receptor potential cation channel subfamily V member 3
著者Lu, X, Yao, J.
登録日2024-08-31
公開日2025-03-26
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Plant essential oil targets TRPV3 for skin renewal and structural mechanism of action.
Nat Commun, 16, 2025
7WB4
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BU of 7wb4 by Molmil
Cryo-EM structure of the NR subunit from X. laevis NPC
分子名称: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
著者Huang, G, Zhan, X, Shi, Y.
登録日2021-12-15
公開日2022-03-02
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Cryo-EM structure of the nuclear ring from Xenopus laevis nuclear pore complex.
Cell Res., 32, 2022
7VVW
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BU of 7vvw by Molmil
MmtN-SAM complex
分子名称: GLYCEROL, PHOSPHATE ION, S-ADENOSYLMETHIONINE, ...
著者Zhang, Y.Z, Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVV
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BU of 7vvv by Molmil
Crystal structure of MmtN
分子名称: PHOSPHATE ION, SAM-dependent methyltransferase
著者Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVX
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BU of 7vvx by Molmil
MmtN-SAH-Met complex
分子名称: METHIONINE, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Zhang, Y.Z, Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7WKK
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BU of 7wkk by Molmil
Cryo-EM structure of the IR subunit from X. laevis NPC
分子名称: Aaas-prov protein, IL4I1 protein, MGC83295 protein, ...
著者Huang, G, Zhan, X, Shi, Y.
登録日2022-01-10
公開日2022-03-30
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of the inner ring from the Xenopus laevis nuclear pore complex.
Cell Res., 32, 2022
7XF3
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BU of 7xf3 by Molmil
The structure of HLA-B*1501/BM58-66AF9
分子名称: 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen
著者Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L.
登録日2022-03-31
公開日2023-02-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape.
J Immunol., 210, 2023
6LKZ
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BU of 6lkz by Molmil
Crystal structure of isocitrate dehydrogenase 1 from Phaeodactylum tricornutum
分子名称: isocitrate dehydrogenase
著者Zhu, G.P.
登録日2019-12-21
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical Characterization and Crystal Structure of a Novel NAD+ -Dependent Isocitrate Dehydrogenase from Phaeodactylum tricornutum.
Int J Mol Sci, 21, 2020
8BSM
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BU of 8bsm by Molmil
Human GLS in complex with compound 18
分子名称: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.782 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSK
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BU of 8bsk by Molmil
Human GLS in complex with compound 3
分子名称: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSL
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BU of 8bsl by Molmil
Human GLS in complex with compound 12
分子名称: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSN
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BU of 8bsn by Molmil
Human GLS in complex with compound 27
分子名称: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
2JTC
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BU of 2jtc by Molmil
3D structure and backbone dynamics of SPE B
分子名称: Streptopain
著者Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P.
登録日2007-07-26
公開日2008-08-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
分子名称: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
分子名称: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
著者Stams, T, Fodor, M.
登録日2017-11-15
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018

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