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7C4C
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BU of 7c4c by Molmil
The crystal structure of Trypanosoma brucei RNase D : GMP complex
Descriptor: CCHC-type domain-containing protein, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C45
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BU of 7c45 by Molmil
The crystal structure of Trypanosoma brucei RNase D complex with RNA U12
Descriptor: CALCIUM ION, CCHC-type domain-containing protein, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C47
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BU of 7c47 by Molmil
The crystal structure of Trypanosoma brucei RNase D : CMP complex
Descriptor: CCHC-type domain-containing protein, CYTIDINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-15
Release date:2021-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C42
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BU of 7c42 by Molmil
The crystal structure of Trypanosoma brucei RNase D
Descriptor: CCHC-type domain-containing protein, ZINC ION
Authors:Gao, Y.Q, Gan, J.H.
Deposit date:2020-05-14
Release date:2021-04-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
Descriptor: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
Descriptor: Dimethyl fumarate, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
5H3R
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BU of 5h3r by Molmil
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
Descriptor: DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR
Authors:Zhu, R, Lou, H, Hao, Z.
Deposit date:2016-10-26
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4YVQ
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BU of 4yvq by Molmil
Crystal Structure of FLU-TPR in Complex with the C-terminal Region of GluTR
Descriptor: Glutamyl-tRNA reductase 1, chloroplastic, Protein FLUORESCENT IN BLUE LIGHT
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
6BZ9
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BU of 6bz9 by Molmil
Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
Descriptor: Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER
Authors:Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R.
Deposit date:2017-12-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6SJV
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BU of 6sjv by Molmil
Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif
Descriptor: Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
Deposit date:2019-08-14
Release date:2019-09-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
5WWC
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BU of 5wwc by Molmil
The crystal structure of Cren7 mutant L28M in complex with dsDNA
Descriptor: Chromatin protein Cren7, DNA (5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3')
Authors:Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
Deposit date:2016-12-31
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
5YOV
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BU of 5yov by Molmil
Crystal structure of BRD4-BD1 bound with hjp126
Descriptor: (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
Authors:Xiong, B, Hu, J, Li, Y, Cao, D.
Deposit date:2017-10-31
Release date:2018-11-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Eur.J.Med.Chem., 150, 2018
7D4G
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BU of 7d4g by Molmil
A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2
Descriptor: Heavy chain of FC05 Fab, Light chain of FC05 Fab, Spike glycoprotein S1
Authors:Cao, L, Wang, X.
Deposit date:2020-09-23
Release date:2021-04-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
7XJR
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BU of 7xjr by Molmil
MLXase AlXyn26A
Descriptor: AlXyn26A
Authors:Zhang, Y.Z, Chen, X.L, Zhao, F, Yu, C.M.
Deposit date:2022-04-18
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel class of xylanases specifically degrade marine red algal beta 1,3/1,4-mixed-linkage xylan.
J.Biol.Chem., 299, 2023
5XXF
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BU of 5xxf by Molmil
Crystal structure of Poz1, Tpz1 and Rap1
Descriptor: Protection of telomeres protein poz1, Protection of telomeres protein tpz1, Rap1, ...
Authors:Xue, J, Chen, H, Wu, J, Lei, M.
Deposit date:2017-07-03
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
6QMC
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BU of 6qmc by Molmil
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
Descriptor: (3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid, Kelch-like ECH-associated protein 1
Authors:Davies, T.G.
Deposit date:2019-02-07
Release date:2019-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-25
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86527729 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
Descriptor: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-26
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.970063 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6SMV
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BU of 6smv by Molmil
Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif
Descriptor: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ...
Authors:Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
Deposit date:2019-08-22
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published

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PDB entries from 2024-10-16

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