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6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
6J1X
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BU of 6j1x by Molmil
WWP1 close conformation
Descriptor: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
8W2R
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BU of 8w2r by Molmil
HIV-1 P5-IN intasome core
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-21
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
8W34
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BU of 8w34 by Molmil
HIV-1 intasome core assembled with wild-type integrase, 1F
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-21
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
6J1Y
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BU of 6j1y by Molmil
Semi-open conformation E3 ligase
Descriptor: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
8W09
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BU of 8w09 by Molmil
HIV-1 wild-type intasome core
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ...
Authors:Li, M, Craigie, R.
Deposit date:2024-02-13
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
8WXT
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BU of 8wxt by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C R45E/V46G
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXQ
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BU of 8wxq by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C
Descriptor: GLY-ALA-ALA-ARG-CYS-ARG-VAL-PHE-SER-PRO, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXU
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BU of 8wxu by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C C44S/R45E/V46G
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXR
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BU of 8wxr by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C F47A
Descriptor: MBD3C, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXV
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BU of 8wxv by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B
Descriptor: SET1B, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXX
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BU of 8wxx by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
Descriptor: SET1B, WD repeat-containing protein 5
Authors:Xu, L, Yang, Y.
Deposit date:2023-10-30
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8XJ3
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BU of 8xj3 by Molmil
Crystal structure of methyltransferase CbiL from Akkermansia muciniphila
Descriptor: CbiL
Authors:Guo, S, Jiang, M, Wang, M.
Deposit date:2023-12-20
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of methyltransferase CbiL from Akkermansia muciniphila.
Biochem.Biophys.Res.Commun., 722, 2024
8X0S
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BU of 8x0s by Molmil
Crystal structure of r(G4C2)2
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*C)-3')
Authors:Geng, Y, Liu, C, Cai, Q, Zhu, G.
Deposit date:2023-11-05
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Crystal structure of a tetrameric RNA G-quadruplex formed by hexanucleotide repeat expansions of C9orf72 in ALS/FTD.
Nucleic Acids Res., 52, 2024
9C9M
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BU of 9c9m by Molmil
HIV-1 intasome core bound with DTG
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ...
Authors:Li, M, Craigie, R.
Deposit date:2024-06-14
Release date:2024-07-31
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:HIV-1 Intasomes Assembled with Excess Integrase C-Terminal Domain Protein Facilitate Structural Studies by Cryo-EM and Reveal the Role of the Integrase C-Terminal Tail in HIV-1 Integration.
Viruses, 16, 2024
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
Authors:Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
8DT4
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BU of 8dt4 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT7
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BU of 8dt7 by Molmil
X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT2
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BU of 8dt2 by Molmil
X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE)
Descriptor: Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT5
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BU of 8dt5 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B)
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
3RJR
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BU of 3rjr by Molmil
Crystal Structure of pro-TGF beta 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1
Authors:Zhu, J.H, Shi, M.L, Springer, T.A.
Deposit date:2011-04-15
Release date:2011-06-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Latent TGF-Beta structure and activation
Nature, 474, 2011
8HHY
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BU of 8hhy by Molmil
SARS-CoV-2 Delta Spike in complex with IS-9A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, ...
Authors:Mohapatra, A, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023

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PDB entries from 2024-10-02

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