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6LI4
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BU of 6li4 by Molmil
Crystal structure of MCR-1-S
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6LSB
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BU of 6lsb by Molmil
Crystal Structure of DPF domain of MOZ in complex with H3K14bz peptide
Descriptor: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
Authors:Li, H.T, Ren, X.L.
Deposit date:2020-01-17
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
6J2S
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BU of 6j2s by Molmil
Structure of HitA bound to gallium from Pseudomonas aeruginosa
Descriptor: Ferric iron-binding periplasmic protein, GALLIUM (III) ION, PHOSPHATE ION
Authors:Guo, Y, Li, H.Y, Sun, H.Z, Xia, W.
Deposit date:2019-01-02
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73005116 Å)
Cite:Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa.
Acs Infect Dis., 5, 2019
6LS6
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BU of 6ls6 by Molmil
Crystal Structure of YEATS domain of AF9 in complex with H3K9bz peptide
Descriptor: 2, Protein AF-9
Authors:Li, H.T, Ren, X.L.
Deposit date:2020-01-17
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
7DH1
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BU of 7dh1 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase in reaction with N2-Methylguanosine
Descriptor: 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-11-12
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DQN
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BU of 7dqn by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant Y185F complexed with guanosine
Descriptor: GUANOSINE, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-12-24
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DM5
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BU of 7dm5 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase in reaction with guanosine
Descriptor: 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-12-02
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DM6
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BU of 7dm6 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase complexed with crotonoside
Descriptor: 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-12-02
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DGC
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BU of 7dgc by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase in reaction with 2'-O-Methylguanosine
Descriptor: 9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione, Guanosine deaminase, SODIUM ION, ...
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-11-11
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
6LSD
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BU of 6lsd by Molmil
Crystal Structure of YEATS domain of human YEATS2 in complex with H3K27bz peptide
Descriptor: 2, GLYCEROL, SULFATE ION, ...
Authors:Li, H.T, Ren, X.L.
Deposit date:2020-01-17
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
7E17
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BU of 7e17 by Molmil
Structure of dimeric uPAR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Cai, Y, Huang, M.
Deposit date:2021-02-01
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
3TGU
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BU of 3tgu by Molmil
Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
Authors:Huang, L.-S, Yang, G.-F, Berry, E.A.
Deposit date:2011-08-17
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex.
J.Am.Chem.Soc., 134, 2012
6LI5
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BU of 6li5 by Molmil
Crystal structure of apo-MCR-1-S
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
3ZC6
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BU of 3zc6 by Molmil
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ...
Authors:Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
Deposit date:2012-11-16
Release date:2013-09-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
7WKX
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BU of 7wkx by Molmil
IL-17A in complex with the humanized antibody HB0017
Descriptor: ACETIC ACID, Heavy chain of HB0017 Fab, Interleukin-17A, ...
Authors:Xu, J, Zhu, X, He, Y.
Deposit date:2022-01-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural and functional insights into a novel pre-clinical-stage antibody targeting IL-17A for treatment of autoimmune diseases.
Int.J.Biol.Macromol., 202, 2022
7DM1
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BU of 7dm1 by Molmil
crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
Descriptor: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
Authors:Ma, B, Freund, N, Xiang, Y.
Deposit date:2020-12-01
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7XR4
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BU of 7xr4 by Molmil
Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with glutamate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, Excitatory amino acid transporter 2, ...
Authors:Zhao, Y, Zhang, Z.
Deposit date:2022-05-09
Release date:2022-06-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of ligand binding modes of human EAAT2.
Nat Commun, 13, 2022
7XR6
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BU of 7xr6 by Molmil
Structure of human excitatory amino acid transporter 2 (EAAT2) in complex with WAY-213613
Descriptor: (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Zhao, Y, Zhang, Z.
Deposit date:2022-05-09
Release date:2022-06-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of ligand binding modes of human EAAT2.
Nat Commun, 13, 2022
7DM2
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BU of 7dm2 by Molmil
crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170
Descriptor: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
Authors:Ma, B, Freund, N, Xiang, Y.
Deposit date:2020-12-01
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
Descriptor: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
Authors:Xia, Y, Yao, D, Huang, C, Cao, Y.
Deposit date:2022-07-08
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
7EI1
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BU of 7ei1 by Molmil
Structure of Pyrococcus furiosus Cas1Cas2 complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
Authors:Yu, Y, Chen, Q.
Deposit date:2021-03-30
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A distinct structure of Cas1-Cas2 complex provides insights into the mechanism for the longer spacer acquisition in Pyrococcus furiosus.
Int.J.Biol.Macromol., 183, 2021
7ELT
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BU of 7elt by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Trp-AMP
Descriptor: TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase
Authors:Xu, M, Chen, S.
Deposit date:2021-04-12
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENS
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BU of 7ens by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Indolmycin and ATP
Descriptor: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-04-19
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EL8
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BU of 7el8 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase
Descriptor: Tryptophan--tRNA ligase
Authors:Xu, M, Chen, S.
Deposit date:2021-04-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022

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