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6CLF
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BU of 6clf by Molmil
1.15 A MicroED structure of GSNQNNF at 1.9 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.15 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLO
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BU of 6clo by Molmil
1.15 A MicroED structure of GSNQNNF at 2.1 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.15 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CL9
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BU of 6cl9 by Molmil
2.20 A MicroED structure of proteinase K at 4.3 e- / A^2
Descriptor: Proteinase K
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.2 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLG
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BU of 6clg by Molmil
1.35 A MicroED structure of GSNQNNF at 2.4 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.35 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLN
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BU of 6cln by Molmil
1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.15 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLA
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BU of 6cla by Molmil
2.80 A MicroED structure of proteinase K at 6.0 e- / A^2
Descriptor: Proteinase K
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.8 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLJ
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BU of 6clj by Molmil
1.01 A MicroED structure of GSNQNNF at 0.50 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.01 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLQ
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BU of 6clq by Molmil
1.21 A MicroED structure of GSNQNNF at 2.8 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.21 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLB
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BU of 6clb by Molmil
3.20 A MicroED structure of proteinase K at 7.8 e- / A^2
Descriptor: Proteinase K
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (3.2 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLL
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BU of 6cll by Molmil
1.02 A MicroED structure of GSNQNNF at 1.2 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.02 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLT
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BU of 6clt by Molmil
1.45 A MicroED structure of GSNQNNF at 3.8 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.45 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLC
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BU of 6clc by Molmil
1.01 A MicroED structure of GSNQNNF at 0.27 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.01 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLH
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BU of 6clh by Molmil
1.37 A MicroED structure of GSNQNNF at 2.9 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.37 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLP
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BU of 6clp by Molmil
1.16 A MicroED structure of GSNQNNF at 2.5 e- / A^2
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.16 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
7K3Z
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BU of 7k3z by Molmil
P. falciparum Cpn60 D474A mutant bound to ATP
Descriptor: 60 kDa chaperonin, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Tolia, N.H, Shi, D, Nguyen, B.
Deposit date:2020-09-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Crystal structure of P. falciparum Cpn60 bound to ATP reveals an open dynamic conformation before substrate binding.
Sci Rep, 11, 2021
5KKY
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BU of 5kky by Molmil
Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en
Descriptor: 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid, CHLORIDE ION, Sialidase A
Authors:Shi, D, Zhao, G.
Deposit date:2016-06-23
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Synthesis of selective inhibitors against S. pneumoniae and V. cholerae sialidases
To Be Published
7OY6
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BU of 7oy6 by Molmil
Crystal structure of human DYRK1A in complex with ARN25068
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
Authors:Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
7OY5
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BU of 7oy5 by Molmil
Crystal structure of GSK3Beta in complex with ARN25068
Descriptor: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
Authors:Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
Descriptor: Alpha-synuclein
Authors:Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
8TQP
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BU of 8tqp by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-08
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
Authors:Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
Deposit date:2023-08-04
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
6WJD
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BU of 6wjd by Molmil
SA-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-13
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
6WJN
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BU of 6wjn by Molmil
SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-14
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020

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