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7W1I
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BU of 7w1i by Molmil
Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C
Descriptor: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
7W1K
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BU of 7w1k by Molmil
Crystal structure of carboxylesterase from Thermobifida fusca
Descriptor: Carboxylesterase
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
7W1J
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BU of 7w1j by Molmil
Crystal structure of carboxylesterase from Thermobifida fusca with J1K
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
7W1L
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BU of 7w1l by Molmil
Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X
Descriptor: Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6XOS
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BU of 6xos by Molmil
CryoEM structure of human presequence protease in partial open state 1
Descriptor: Presequence protease, mitochondrial
Authors:Liang, W.G, Zhao, M, Tang, W.
Deposit date:2020-07-07
Release date:2021-07-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XOU
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BU of 6xou by Molmil
CryoEM structure of human presequence protease in open state
Descriptor: Presequence protease, mitochondrial
Authors:Liang, W.G, Zhao, M, Tang, W.
Deposit date:2020-07-07
Release date:2021-07-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XOV
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BU of 6xov by Molmil
CryoEM structure of human presequence protease in partial closed state 1
Descriptor: Amyloid-beta precursor protein, Presequence protease, mitochondrial
Authors:Liang, W.G, Zhao, M, Tang, W.
Deposit date:2020-07-07
Release date:2021-07-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XOT
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BU of 6xot by Molmil
CryoEM structure of human presequence protease in partial open state 2
Descriptor: Presequence protease, mitochondrial
Authors:Liang, W.G, Zhao, M, Tang, W.
Deposit date:2020-07-07
Release date:2021-07-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6VAC
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BU of 6vac by Molmil
Mouse retromer (VPS26/VPS35/VPS29) heterotrimer
Descriptor: Vacuolar protein sorting-associated protein 26A, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
Authors:Kendall, A.K, Jackson, L.P.
Deposit date:2019-12-17
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Mammalian Retromer Is an Adaptable Scaffold for Cargo Sorting from Endosomes.
Structure, 28, 2020
6VAB
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BU of 6vab by Molmil
Mouse retromer sub-structure: VPS35/VPS35 flat dimer
Descriptor: Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
Authors:Kendall, A.K, Jackson, L.P.
Deposit date:2019-12-17
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Mammalian Retromer Is an Adaptable Scaffold for Cargo Sorting from Endosomes.
Structure, 28, 2020
6GY1
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BU of 6gy1 by Molmil
rat COMT in complex with inhibitor
Descriptor: 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol, Catechol O-methyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Schulze, M.-S.
Deposit date:2018-06-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
J. Med. Chem., 61, 2018
7KNN
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BU of 7knn by Molmil
Solution structure of the alpha-conotoxin analogue [2-8]-alkyne Vc1.1
Descriptor: Alpha-conotoxin Vc1a
Authors:MacRaild, C.A, Robinson, S.D, Chhabra, S, Norton, R.S.
Deposit date:2020-11-05
Release date:2021-09-15
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Alkyne-Bridged alpha-Conotoxin Vc1.1 Potently Reverses Mechanical Allodynia in Neuropathic Pain Models.
J.Med.Chem., 64, 2021
1U8B
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BU of 1u8b by Molmil
Crystal structure of the methylated N-ADA/DNA complex
Descriptor: 5'-D(*AP*AP*TP*CP*TP*TP*GP*CP*GP*CP*TP*TP*T)-3', 5'-D(*TP*AP*AP*AP*TP*T)-3', 5'-D(P*AP*AP*AP*GP*CP*GP*CP*AP*AP*GP*AP*T)-3', ...
Authors:He, C, Hus, J.-C, Sun, L.J, Zhou, P, Norman, D.P.G, Dotsch, V, Gross, J.D, Lane, W.S, Wagner, G, Verdine, G.L.
Deposit date:2004-08-05
Release date:2005-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A methylation-dependent electrostatic switch controls DNA repair and transcriptional activation by E. coli ada.
Mol.Cell, 20, 2005
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
6CUF
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BU of 6cuf by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6CUE
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BU of 6cue by Molmil
Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
8U89
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BU of 8u89 by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Wu, C.G, Xing, Y.
Deposit date:2023-09-16
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U1X
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BU of 8u1x by Molmil
The structure of the PP2A-B56Delta holoenzyme mutant - E197K
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
Authors:Wu, C.G, Xing, Y.
Deposit date:2023-09-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations.
Proc.Natl.Acad.Sci.USA, 121, 2024
7RZI
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BU of 7rzi by Molmil
Insulin Degrading Enzyme pC/pC
Descriptor: Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain
Authors:Mancl, J.M, Liang, W.G, Tang, W.J.
Deposit date:2021-08-27
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme
To be published
7RZE
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BU of 7rze by Molmil
Insulin Degrading Enzyme pO/pC
Descriptor: Cysteine-free Insulin-degrading enzyme, Insulin A chain, Insulin B chain
Authors:Mancl, J.M, Liang, W.G, Tang, W.J.
Deposit date:2021-08-27
Release date:2022-08-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme
To be published
7RZH
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BU of 7rzh by Molmil
Insulin Degrading Enzyme O/O
Descriptor: Cysteine-free Insulin-degrading enzyme
Authors:Mancl, J.M, Liang, W.G, Tang, W.J.
Deposit date:2021-08-27
Release date:2022-08-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme
To be published

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