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8T3L
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BU of 8t3l by Molmil
TRPV1 in nanodisc bound with 2 LPA molecules in neighboring monomers
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-06-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8T0E
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BU of 8t0e by Molmil
TRPV1 in Nanodisc not bound with lysophosphatidic acid (apo)
Descriptor: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Cheng, Y.
Deposit date:2023-05-31
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8T10
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BU of 8t10 by Molmil
TRPV1 in nanodisc bound with two LPA molecules in opposite monomers
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-06-01
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8T3M
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BU of 8t3m by Molmil
TRPV1 in nanodisc bound with 3 LPA molecules
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-06-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8T0Y
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BU of 8t0y by Molmil
TRPV1 in nanodisc bound with one LPA in one monomer
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ...
Authors:Arnold, W.R, Cheng, Y.
Deposit date:2023-06-01
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
4XSQ
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BU of 4xsq by Molmil
Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma floridae
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946
Authors:Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z.
Deposit date:2015-01-22
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of a variable lymphocyte receptor-like protein from the amphioxus Branchiostoma floridae.
Sci Rep, 6, 2016
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
Descriptor: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8D4P
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BU of 8d4p by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
Descriptor: 2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide, 3C-like proteinase
Authors:Butler, S.G, Chen, Y, Wang, J.
Deposit date:2022-06-02
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10-90-3-C1
To Be Published
7M71
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BU of 7m71 by Molmil
SARS-CoV-2 Spike:5A6 Fab complex I focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ...
Authors:Asarnow, D, Cheng, Y.
Deposit date:2021-03-26
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7M7B
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BU of 7m7b by Molmil
SARS-CoV-2 Spike:Fab 3D11 complex focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ...
Authors:Asarnow, D, Cheng, Y.
Deposit date:2021-03-27
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7MN2
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BU of 7mn2 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb2
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
8U3L
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BU of 8u3l by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 25C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U30
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BU of 8u30 by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the closed state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U3C
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BU of 8u3c by Molmil
TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer)
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U2Z
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BU of 8u2z by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the dilated state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U3J
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BU of 8u3j by Molmil
TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U4D
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BU of 8u4d by Molmil
TRPV1 in nanodisc bound with PI-Br4, consensus structure
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-10
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U3A
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BU of 8u3a by Molmil
TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 1 (monomer)
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-07
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8U43
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BU of 8u43 by Molmil
TRPV1 in nanodisc bound with PIP2-Br4
Descriptor: (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-08
Release date:2024-05-08
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
8DZB
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BU of 8dzb by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11
Descriptor: 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8DZC
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BU of 8dzc by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17
Descriptor: (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
7MP7
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BU of 7mp7 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb3
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-04
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MN1
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BU of 7mn1 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sa1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MQ4
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BU of 7mq4 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-05
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023

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数据于2024-10-16公开中

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