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9JLV
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BU of 9jlv by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with alpha-cyclodextrin
分子名称: CITRATE ANION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
著者Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
登録日2024-09-19
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
9JLT
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BU of 9jlt by Molmil
GH57 family amylopullulanase D352N mutant from Aquifex aeolicus complex with alpha-cyclodextrin
分子名称: Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein
著者Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
登録日2024-09-19
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
分子名称: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
分子名称: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
3S5L
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BU of 3s5l by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
分子名称: GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ...
著者Li, Y.
登録日2011-05-23
公開日2011-09-21
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S4S
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BU of 3s4s by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
分子名称: GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Li, Y.
登録日2011-05-20
公開日2011-09-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
8ZYI
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BU of 8zyi by Molmil
crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicus in complex wih 6-alpha-D-maltotriosyl-maltotriose
分子名称: Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhu, Z.M, Wang, W.W, Yu, F.
登録日2024-06-17
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
2IAM
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BU of 2iam by Molmil
Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR
分子名称: 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ...
著者Deng, L, Langley, R.J, Mariuzza, R.A.
登録日2006-09-08
公開日2007-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor
Nat.Immunol., 8, 2007
2IAN
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BU of 2ian by Molmil
Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR
分子名称: 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ...
著者Deng, L, Langley, R.J, Mariuzza, R.A.
登録日2006-09-08
公開日2007-04-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor
Nat.Immunol., 8, 2007
2YYF
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BU of 2yyf by Molmil
Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus
分子名称: M-conotoxin mr12
著者Huang, F, Du, W, Han, Y, Wang, C.
登録日2007-04-29
公開日2008-04-08
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus.
Febs J., 275, 2008
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
最終更新日2024-11-06
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
7FIL
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BU of 7fil by Molmil
The cryo-EM structure of the NTD2 from the X. laevis Nup358
分子名称: Nup358 complex, clamps
著者Shi, Y, Zhan, X, Huang, G.
登録日2021-07-31
公開日2022-06-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
登録日2021-07-06
公開日2022-07-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
7FIK
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BU of 7fik by Molmil
The cryo-EM structure of the CR subunit from X. laevis NPC
分子名称: MGC154553 protein, MGC83295 protein, MGC83926 protein, ...
著者Shi, Y, Huang, G, Zhan, X.
登録日2021-07-31
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
9JDU
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BU of 9jdu by Molmil
The crystal structure of PDE10A complexed with inhibitor 2061
分子名称: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ...
著者Huang, Y.-Y, Guo, L, Luo, H.-B.
登録日2024-09-01
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.3000176 Å)
主引用文献Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension.
Eur.J.Med.Chem., 290, 2025
9LUG
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BU of 9lug by Molmil
Crystal structure of SARS-Cov-2 main protease E166V mutant in complex with Bofutrelvir
分子名称: ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhou, X.L, Li, J.
登録日2025-02-08
公開日2025-04-09
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
9LUF
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BU of 9luf by Molmil
Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Bofutrelvir
分子名称: ORF1a polyprotein, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhou, X.L, Li, J.
登録日2025-02-08
公開日2025-04-09
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025
8HLE
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BU of 8hle by Molmil
Structure of DddY-DMSOP complex
分子名称: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION
著者Peng, M, Li, C.Y, Zhang, Y.Z.
登録日2022-11-30
公開日2023-10-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
8HLF
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BU of 8hlf by Molmil
Crystal structure of DddK-DMSOP complex
分子名称: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, MANGANESE (II) ION, Novel protein with potential Cupin domain
著者Peng, M, Li, C.Y, Zhang, Y.Z.
登録日2022-11-30
公開日2023-10-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
6XEY
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BU of 6xey by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4
分子名称: 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rapp, M, Shapiro, L, Ho, D.D.
登録日2020-06-14
公開日2020-07-22
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
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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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
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016

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件を2025-07-09に公開中

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