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4KWE
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BU of 4kwe by Molmil
GDP-bound, double-stranded, curved FtsZ protofilament structure
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Li, Y, Hsin, J, Zhao, L, Cheng, Y, Shang, W, Huang, K.C, Wang, H.W, Ye, S.
Deposit date:2013-05-23
Release date:2013-07-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:FtsZ protofilaments use a hinge-opening mechanism for constrictive force generation
Science, 341, 2013
8IFQ
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BU of 8ifq by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-19
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFP
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BU of 8ifp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1
Descriptor: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-19
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFS
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BU of 8ifs by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7
Descriptor: (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-19
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFT
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BU of 8ift by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10
Descriptor: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-19
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFR
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BU of 8ifr by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3
Descriptor: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-19
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IGX
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BU of 8igx by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432)
Descriptor: (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-21
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IGY
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BU of 8igy by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2023-02-21
Release date:2023-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
3R3L
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BU of 3r3l by Molmil
Structure of NP protein from Lassa AV strain
Descriptor: MANGANESE (II) ION, Nucleoprotein, ZINC ION
Authors:Perbandt, M, Brunotte, L, Gunther, S, Betzel, C.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy.
J.Biol.Chem., 286, 2011
5WOB
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BU of 5wob by Molmil
Crystal Structure Analysis of Fab1-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin
Descriptor: IDE-bound Fab heavy chain, IDE-bound Fab light chain, Insulin, ...
Authors:McCord, L.A, Liang, W.G, Farcasanu, M, Wang, A.G, Koide, S, Tang, W.J.
Deposit date:2017-08-01
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
Descriptor: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
Descriptor: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
5AGC
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BU of 5agc by Molmil
Crystallographic forms of the Vps75 tetramer
Descriptor: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75
Authors:Hammond, C.M, Sundaramoorthy, R, Owen-Hughes, T.
Deposit date:2015-01-29
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Histone Chaperone Vps75 Forms Multiple Oligomeric Assemblies Capable of Mediating Exchange between Histone H3-H4 Tetramers and Asf1-H3-H4 Complexes.
Nucleic Acids Res., 44, 2016
3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
Descriptor: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
Authors:Xiao, Y, Hilgenfeld, R, Ma, Q.
Deposit date:2011-10-22
Release date:2012-02-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
3STQ
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BU of 3stq by Molmil
Hypothetical protein PA2703 Pseudomonas aeruginosa PAO1
Descriptor: Putative uncharacterized protein
Authors:Zou, T.T, Wang, M.T, Jin, Q, Cui, S.
Deposit date:2011-07-11
Release date:2012-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Crystal structure of Pseudomonas aeruginosa Tsi2 reveals a stably folded superhelical antitoxin
J.Mol.Biol., 417, 2012
6BF8
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BU of 6bf8 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with insulin
Descriptor: Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-04-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6B3Q
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BU of 6b3q by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with insulin
Descriptor: Insulin, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-09-22
Release date:2017-11-22
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6BF6
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BU of 6bf6 by Molmil
Cryo-EM structure of human insulin degrading enzyme
Descriptor: Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-02-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6B7Z
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BU of 6b7z by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11 heavy chain and FAB H11 light chain
Descriptor: FAB H11 heavy chain, FAB H11 light chain, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-05
Release date:2018-01-10
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6BF9
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BU of 6bf9 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain
Descriptor: Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-02-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6BF7
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BU of 6bf7 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain
Descriptor: Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-26
Release date:2018-02-07
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
6B70
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BU of 6b70 by Molmil
Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain and insulin
Descriptor: FAB H11-E heavy chain, FAB H11-E light chain, Insulin, ...
Authors:Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018

 

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