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6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
Descriptor: De novo designed protein RO2_1
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
Descriptor: De novo designed protein RO2_20
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
2A9J
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BU of 2a9j by Molmil
Human bisphosphoglycerate mutase complexed with 3-phosphoglycerate (17 days)
Descriptor: 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
Authors:Wang, Y, Gong, W.
Deposit date:2005-07-11
Release date:2006-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase
J.Biol.Chem., 281, 2006
6W9U
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BU of 6w9u by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP
Descriptor: 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-03-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
6VXO
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BU of 6vxo by Molmil
NaChBac-Nav1.7VSDII chimera in nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, NaChBac-Nav1.7VSDII chimera
Authors:Yan, N, Gao, S.
Deposit date:2020-02-22
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
4GIW
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BU of 4giw by Molmil
Crystal structure of the RUN domain of human NESCA
Descriptor: RUN and SH3 domain-containing protein 1
Authors:Bai, L, Sun, Q, Jiang, T.
Deposit date:2012-08-09
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and functional implication of the RUN domain of human NESCA
Protein Cell, 3, 2012
6VWX
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BU of 6vwx by Molmil
NaChBac in lipid nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein, SODIUM ION
Authors:Yan, N, Gao, S.
Deposit date:2020-02-20
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VX3
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BU of 6vx3 by Molmil
NaChBac in GDN
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein
Authors:Yan, N, Gao, S.
Deposit date:2020-02-21
Release date:2020-06-24
Last modified:2020-07-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
6W6O
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BU of 6w6o by Molmil
NaChBac-Nav1.7VSDII chimera and HWTX-IV complex
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Huwentoxin-IV, NaChBac-Nav1.7VSDII chimera
Authors:Yan, N, Gao, S.
Deposit date:2020-03-17
Release date:2020-06-24
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na + channels in nanodisc.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W9V
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BU of 6w9v by Molmil
Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H without ligand
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-03-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Absence of mucosal-associated invariant T cells in a person with a homozygous point mutation in MR1 .
Sci Immunol, 5, 2020
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-14
Release date:2023-11-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRL
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BU of 8wrl by Molmil
XBB.1.5 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-11-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
6EXE
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BU of 6exe by Molmil
Crystal structure of DotM cytoplasmic domain (residues 153-380),R217E
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, IcmP (DotM)
Authors:Meir, A, Waksman, G.
Deposit date:2017-11-08
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Legionella DotM structure reveals a role in effector recruiting to the Type 4B secretion system.
Nat Commun, 9, 2018
6X5T
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BU of 6x5t by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3-Asn
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6E7G
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BU of 6e7g by Molmil
Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1 influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Wilson, I.A.
Deposit date:2018-07-26
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
Descriptor: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
4LCW
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BU of 4lcw by Molmil
The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH
Descriptor: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2013-06-24
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-loaded MR1 tetramers define T cell receptor heterogeneity in mucosal-associated invariant T cells.
J.Exp.Med., 210, 2013
3QK0
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BU of 3qk0 by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 82
Descriptor: N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
4LQY
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BU of 4lqy by Molmil
Crystal Structure of Human ENPP4 with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Albright, R.A, Braddock, D.T.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
4F1S
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BU of 4f1s by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor
Descriptor: N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2012-05-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012

224931

数据于2024-09-11公开中

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