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7YQH
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BU of 7yqh by Molmil
Cryo-EM structure of 8-subunit Smc5/6
Descriptor: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
Deposit date:2022-08-07
Release date:2024-01-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8DDI
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BU of 8ddi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2022-06-18
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2022-06-18
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
6V63
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BU of 6v63 by Molmil
SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Gong, W, Li, J, Li, Z, Xu, Y.
Deposit date:2015-02-05
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
3B7B
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BU of 3b7b by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1)
Descriptor: Euchromatic histone-lysine N-methyltransferase 1, SULFATE ION
Authors:Collins, R.E, Horton, J.R, Cheng, X.
Deposit date:2007-10-30
Release date:2008-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules
Nat.Struct.Mol.Biol., 15, 2008
6JNX
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BU of 6jnx by Molmil
Cryo-EM structure of a Q-engaged arrested complex
Descriptor: Antiterminator Q protein, DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Feng, Y, Shi, J.
Deposit date:2019-03-18
Release date:2019-06-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
6UKH
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BU of 6ukh by Molmil
HhaI endonuclease in Complex with DNA in space group P41212 (pH 6.0)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*G)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
8GPK
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BU of 8gpk by Molmil
Crystal structure of human anti-HIV-1 broadly neutralizing antibody F6 Fab
Descriptor: F6 Fab heavy Chain, F6 Fab light chain
Authors:Niu, J, Yang, B.
Deposit date:2022-08-26
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GP5
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BU of 8gp5 by Molmil
Structure of X18 UFO protomer in complex with F6 Fab VHVL domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab VH domain, ...
Authors:Niu, J, Xu, Y.W, Yang, B.
Deposit date:2022-08-25
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
8GPI
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BU of 8gpi by Molmil
HIV-1 Env X18 UFO in complex with 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ...
Authors:Niu, J, Xu, Y.W, Yang, B.
Deposit date:2022-08-26
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
7SFD
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BU of 7sfd by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A
Descriptor: (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFF
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BU of 7sff by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFC
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BU of 7sfc by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A
Descriptor: 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
2ZO1
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BU of 2zo1 by Molmil
Mouse NP95 SRA domain DNA specific complex 2
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ...
Authors:Hashimoto, H, Horton, J.R, Cheng, X.
Deposit date:2008-05-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
5DZO
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BU of 5dzo by Molmil
Crystal structure of human T-cell immunoglobulin and mucin domain protein 1
Descriptor: Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
Authors:Yuan, S, Rao, Z, Wang, X.
Deposit date:2015-09-25
Release date:2015-11-25
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
Descriptor: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
3B95
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BU of 3b95 by Molmil
EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 2)
Descriptor: Euchromatic histone-lysine N-methyltransferase 1, Histone H3 N-terminal Peptide, SULFATE ION
Authors:Collins, R.E, Horton, J.R, Cheng, X.
Deposit date:2007-11-02
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules.
Nat.Struct.Mol.Biol., 15, 2008
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
Descriptor: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
Authors:Gao, G.G, Shi, Y, Peng, R, Liu, S.
Deposit date:2016-10-01
Release date:2016-11-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
6V62
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BU of 6v62 by Molmil
SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
8P5Y
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BU of 8p5y by Molmil
Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide, BROMIDE ION, CHLORIDE ION, ...
Authors:Lau, K, Wang, W, Pojer, F, Larabi, A.
Deposit date:2023-05-24
Release date:2023-09-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023

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数据于2024-07-10公开中

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