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7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
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, Spike glycoprotein, ...
著者Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
登録日2021-04-28
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
8KH4
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BU of 8kh4 by Molmil
Cryo-EM structure of the GPR161-Gs complex
分子名称: CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Nie, Y, Qiu, Z, Zheng, S, Chen, S.
登録日2023-08-21
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KGK
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BU of 8kgk by Molmil
Cryo-EM structure of the GPR61-Gs complex
分子名称: G-protein coupled receptor 61, 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Nie, Y, Qiu, Z, Zheng, S.
登録日2023-08-19
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
8KH5
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Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS
分子名称: CHOLESTEROL, 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Nie, Y, Qiu, Z, Zheng, S, Chen, S.
登録日2023-08-21
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
7FJF
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BU of 7fjf by Molmil
Cryo-EM structure of a membrane protein(CS)
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJE
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BU of 7fje by Molmil
Cryo-EM structure of a membrane protein(LL)
分子名称: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
7FJD
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BU of 7fjd by Molmil
Cryo-EM structure of a membrane protein(WT)
分子名称: CHOLESTEROL, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ...
著者Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z.
登録日2021-08-03
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
3VKA
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BU of 3vka by Molmil
Crystal structure of MoeO5 soaked for 3 hours in FsPP
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VKB
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BU of 3vkb by Molmil
Crystal structure of MoeO5 soaked with FsPP overnight
分子名称: CHLORIDE ION, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VKD
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BU of 3vkd by Molmil
Crystal structure of MoeO5 soaked with 3-phosphoglycerate
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-12
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VK5
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BU of 3vk5 by Molmil
Crystal structure of MoeO5 in complex with its product FPG
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-08
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VKC
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BU of 3vkc by Molmil
Crystal structure of MoeO5 soaked with pyrophosphate
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-12
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8X8T
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BU of 8x8t by Molmil
NMR structure of p75NTR juxtamembrane domain in complex with RhoGDI N-terminal domain containing a phosphorylation-mimicking S34D mutation
分子名称: Rho GDP-dissociation inhibitor 1, Tumor necrosis factor receptor superfamily member 16
著者Lin, Z, Li, Z.
登録日2023-11-28
公開日2024-04-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献RhoGDI phosphorylation by PKC promotes its interaction with death receptor p75 NTR to gate axon growth and neuron survival.
Embo Rep., 25, 2024
6L8Z
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BU of 6l8z by Molmil
Crystal structure of ugt transferase mutant in complex with UPG
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2019-11-07
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
6L8W
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BU of 6l8w by Molmil
Crystal structure of ugt transferase mutant2
分子名称: Glycosyltransferase
著者Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2019-11-07
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
6L90
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BU of 6l90 by Molmil
Crystal structure of ugt transferase enzyme
分子名称: Glycosyltransferase, SULFATE ION
著者Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2019-11-07
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
6L8X
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BU of 6l8x by Molmil
Crystal structure of Siraitia grosvenorii ugt transferase mutant2
分子名称: Glycosyltransferase
著者Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2019-11-07
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 10, 2020
6IRD
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BU of 6ird by Molmil
Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein
著者Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IHI
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BU of 6ihi by Molmil
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019

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