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6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6X58
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BU of 6x58 by Molmil
MPER-Fluc-Ec2 bound to 10E8v4 antibody
Descriptor: 10E8v4 Fab Heavy Chain, 10E8v4 Fab Light Chain, gp41 MPER peptide,Putative fluoride ion transporter CrcB
Authors:McIlwain, B.C, Stockbridge, R.B.
Deposit date:2020-05-25
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:N-terminal Transmembrane-Helix Epitope Tag for X-ray Crystallography and Electron Microscopy of Small Membrane Proteins.
J.Mol.Biol., 433, 2021
5LGG
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BU of 5lgg by Molmil
The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1)
Descriptor: Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1
Authors:Li, Q, Aibara, S, Barford, D.
Deposit date:2016-07-07
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity.
Proc.Natl.Acad.Sci.USA, 113, 2016
7MUV
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BU of 7muv by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 3
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUQ
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BU of 7muq by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 1
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUY
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BU of 7muy by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 5
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUW
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BU of 7muw by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 4
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUS
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BU of 7mus by Molmil
Reconstruction of the Legionella pneumophila Dot/Icm T4SS 3DVA Map 2
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUE
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BU of 7mue by Molmil
Legionella pneumophila Dot/Icm T4SS PR
Descriptor: DotF, IcmE protein, Type IV secretion protein IcmK, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUD
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BU of 7mud by Molmil
Legionella pneumophila Dot/Icm T4SS OMC
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
7MUC
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BU of 7muc by Molmil
Legionella pneumophila Dot/Icm T4SS C1 Reconstruction
Descriptor: DUF2807 domain-containing protein, DotC, DotD, ...
Authors:Sheedlo, M.J, Durie, C.L, Swanson, M, Lacy, D.B, Ohi, M.D.
Deposit date:2021-05-14
Release date:2021-10-06
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM reveals new species-specific proteins and symmetry elements in the Legionella pneumophila Dot/Icm T4SS.
Elife, 10, 2021
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
5BPT
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BU of 5bpt by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
Descriptor: MGC81278 protein
Authors:Cronin, N, Yang, J, Zhang, Z, Barford, D.
Deposit date:2015-05-28
Release date:2015-09-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
5BPZ
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BU of 5bpz by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
Descriptor: 1,2-ETHANEDIOL, Anapc5 protein
Authors:Cronin, N, Yang, J, Zhang, Z, Barford, D.
Deposit date:2015-05-28
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
5BPW
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BU of 5bpw by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
Descriptor: Anaphase-promoting complex subunit 4
Authors:Kulkarni, K, Yang, J, Zhang, Z, Barford, D.
Deposit date:2015-05-28
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
4Y8D
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BU of 4y8d by Molmil
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
Authors:Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-02-16
Release date:2015-04-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
5TXF
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BU of 5txf by Molmil
Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ...
Authors:Manthei, K.A, Glukhova, A, Tesmer, J.J.G.
Deposit date:2016-11-16
Release date:2017-10-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I.
J. Biol. Chem., 292, 2017
5W5V
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BU of 5w5v by Molmil
TBK1 co-crystal structure with amlexanox
Descriptor: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
Authors:Beyett, T.S, Tesmer, J.J.G.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.645 Å)
Cite:Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
6B38
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BU of 6b38 by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3G
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BU of 6b3g by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B36
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BU of 6b36 by Molmil
Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, HIV-1 Protease
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3C
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BU of 6b3c by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6B3H
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BU of 6b3h by Molmil
Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Descriptor: CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Authors:Su, H.P.
Deposit date:2017-09-21
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017
6CQ5
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BU of 6cq5 by Molmil
TBK1 in Complex with Sulfone Analog of Amlexanox
Descriptor: 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
Authors:Beyett, T.S, Tesmer, J.J.G.
Deposit date:2018-03-14
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
6CQ4
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BU of 6cq4 by Molmil
TBK1 in Complex with Cyclohexyl Analog of Amlexanox
Descriptor: 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
Authors:Beyett, T.S, Tesmer, J.J.G.
Deposit date:2018-03-14
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018

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