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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
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
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
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
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
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
8HWT
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BU of 8hwt by Molmil
SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
分子名称: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
著者He, Q.W, Xie, Y.
登録日2023-01-02
公開日2023-12-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8HWS
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BU of 8hws by Molmil
The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
著者He, Q.W, Xu, Z.P, Xie, Y.F.
登録日2023-01-02
公開日2023-12-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8HU4
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BU of 8hu4 by Molmil
Limosilactobacillus reuteri N1 GtfB
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-22
公開日2023-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HWK
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BU of 8hwk by Molmil
Limosilactobacillus reuteri N1 GtfB-maltohexaose
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HW3
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BU of 8hw3 by Molmil
Limosilactobacillus reuteri N1 GtfB-acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
著者Dong, J.J, Bai, Y.X.
登録日2022-12-28
公開日2024-01-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
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
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
5MEZ
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BU of 5mez by Molmil
Crystal structure of Smad4-MH1 bound to the GGCT site.
分子名称: CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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
1GP7
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BU of 1gp7 by Molmil
Acidic Phospholipase A2 from venom of Ophiophagus Hannah
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Zhang, H, Lin, Z.
登録日2001-10-30
公開日2002-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a Cardiotoxic Phospholipase A(2) from Ophiophagus Hannah with the "Pancreatic Loop"
J.Struct.Biol., 138, 2002
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
7FH7
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BU of 7fh7 by Molmil
Friedel-Crafts alkylation enzyme CylK mutant Y37F
分子名称: 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ...
著者Wang, H.Q, Wei, Z, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
7FH8
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BU of 7fh8 by Molmil
Friedel-Crafts alkylation enzyme CylK mutant H391A
分子名称: 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ...
著者Wang, H.Q, Wei, Z, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
7FH6
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Friedel-Crafts alkylation enzyme CylK
分子名称: CALCIUM ION, CHLORIDE ION, CylK, ...
著者Liu, L, Wang, H.Q, Xiang, Z.
登録日2021-07-29
公開日2022-02-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022

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