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3DAU
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BU of 3dau by Molmil
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, B.C, Dealwis, C.G.
Deposit date:2008-05-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
Descriptor: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Luo, Y, Zhao, Y, Qu, Q, Li, D.
Deposit date:2021-08-20
Release date:2021-09-22
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
5J1A
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BU of 5j1a by Molmil
Antigen presenting molecule
Descriptor: 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
Authors:Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
Descriptor: Diacylglycerol kinase
Authors:Li, J, Yang, J.
Deposit date:2021-01-13
Release date:2022-04-13
Last modified:2023-09-27
Method:SOLID-STATE NMR
Cite:Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
4TW2
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BU of 4tw2 by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ...
Authors:Dang, M.H, Wang, X.X, Rao, Z.H.
Deposit date:2014-06-29
Release date:2015-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
8HZ8
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BU of 8hz8 by Molmil
Structure of PPIA in complex with the peptide of NRF2
Descriptor: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
Authors:Wanyan, W, Hui, M, Jin, H, Lu, W.
Deposit date:2023-01-08
Release date:2024-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PPIA dictates NRF2 stability to promote lung cancer progression.
Nat Commun, 15, 2024
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (4-hydroxyphenyl)acetonitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-07
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: 6-methyl-2H-chromen-2-one, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
Authors:Wright, K.M, Gabelli, S.B.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
9KYQ
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BU of 9kyq by Molmil
GH57 family amylopullulanase from Aquifex aeolicus wild type co-crystallize with gama-cyclodextrin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S.
Deposit date:2024-12-09
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
9KYP
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BU of 9kyp by Molmil
GH57 family amylopullulanase from Aquifex aeolicus wild type complex with beta-cyclodextrin
Descriptor: 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S.
Deposit date:2024-12-09
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
9K7C
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BU of 9k7c by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with maltopentaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-10-23
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9KYR
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BU of 9kyr by Molmil
GH57 family amylopullulanase from Aquifex aeolicus D352N mutant complex with gama-cyclodextrin
Descriptor: 1,2-ETHANEDIOL, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S.
Deposit date:2024-12-09
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
9K7D
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BU of 9k7d by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with Maltohexaose
Descriptor: Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-10-23
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9JLW
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BU of 9jlw by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltoheptaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
9JLU
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BU of 9jlu by Molmil
GH57 family amylopullulanase from Aquifex aeolicus D352N mutant complex with beta-cyclodextrin
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
9JLR
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BU of 9jlr by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with maltopentaose
Descriptor: Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
9JLS
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BU of 9jls by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus wild type in complex with acarbose
Descriptor: 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)-alpha-D-glucopyranose, Glycoside hydrolase family 57 N-terminal domain-containing protein
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
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
Descriptor: CITRATE ANION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ...
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein
Authors:Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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
Descriptor: 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
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-17
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9BLL
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BU of 9bll by Molmil
Cryo-EM of RBD(EG5.1)/1301B7 Fab Complex
Descriptor: 1301B7 Heavy Chain, 1301B7 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, M.R, Green, T.J.
Deposit date:2024-04-30
Release date:2025-03-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent neutralization by a RBD antibody with broad specificity for SARS-CoV-2 JN.1 and other variants.
Npj Viruses, 2, 2024
3S5L
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BU of 3s5l by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
Descriptor: GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ...
Authors:Li, Y.
Deposit date:2011-05-23
Release date:2011-09-21
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Li, Y.
Deposit date:2011-05-20
Release date:2011-09-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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

238582

数据于2025-07-09公开中

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