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7CA8
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BU of 7ca8 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
Deposit date:2020-06-08
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
7CFU
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BU of 7cfu by Molmil
Crystal Structure of FMN-dependent Cysteine Decarboxylases SpaF
Descriptor: ARGININE, DNA/pantothenate metabolism flavoprotein, FLAVIN MONONUCLEOTIDE
Authors:Li, J, Lu, J, Wang, H, Zhu, J.
Deposit date:2020-06-28
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Characterization of FMN-dependent Cysteine Decarboxylases SPAF
To Be Published
8IC1
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BU of 8ic1 by Molmil
endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides
Descriptor: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
7YF7
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BU of 7yf7 by Molmil
NMR solution structures of the DNA minidumbbell formed by two ATTTT repeats
Descriptor: DNA (5'-D(*AP*TP*TP*TP*TP*AP*TP*TP*TP*T)-3'), SODIUM ION
Authors:Wan, L, Li, J, Guo, P.
Deposit date:2022-07-07
Release date:2023-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Nuclear Magnetic Resonance Structures of ATTTT and ATTTC Pentanucleotide Repeats Associated with SCA37 and FAMEs.
Acs Chem Neurosci, 14, 2023
7YH5
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BU of 7yh5 by Molmil
MazG(Mycobacterium tuberculosis)
Descriptor: MAGNESIUM ION, Nucleoside triphosphate pyrophosphohydrolase
Authors:Li, J, Wang, S.
Deposit date:2022-07-12
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of the housecleaning nucleoside triphosphate pyrophosphohydrolase MazG from Mycobacterium tuberculosis.
Front Microbiol, 14, 2023
7CDB
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BU of 7cdb by Molmil
Structure of GABARAPL1 in complex with GABA(A) receptor gamma 2
Descriptor: ACETATE ION, CITRIC ACID, Gamma-aminobutyric acid receptor subunit gamma-2, ...
Authors:Li, J, Ye, J, Zhu, R, Kong, C, Zhang, M, Wang, C.
Deposit date:2020-06-19
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural basis of GABARAP-mediated GABA A receptor trafficking and functions on GABAergic synaptic transmission.
Nat Commun, 12, 2021
8YQH
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BU of 8yqh by Molmil
Crystal structure of Cry3Aa-PEI at 3.1 A
Descriptor: Cry3Aa protein
Authors:Li, J, Chan, M.K.
Deposit date:2024-03-19
Release date:2025-02-12
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanoresponsive Protein Crystals for NADH Recycling in Multicycle Enzyme Reactions.
J.Am.Chem.Soc., 146, 2024
4U7P
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BU of 4u7p by Molmil
Crystal structure of DNMT3A-DNMT3L complex
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.821 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
3DEJ
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BU of 3dej by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3J9B
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BU of 3j9b by Molmil
Electron cryo-microscopy of an RNA polymerase
Descriptor: Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ...
Authors:Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F.
Deposit date:2014-12-16
Release date:2015-02-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
5D9Y
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BU of 5d9y by Molmil
Crystal structure of TET2-5fC complex
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ...
Authors:Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
Deposit date:2015-08-19
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
5DEU
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BU of 5deu by Molmil
Crystal structure of TET2-5hmC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ...
Authors:Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
Deposit date:2015-08-26
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
9KLP
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BU of 9klp by Molmil
Cryo-EM structure of ChCas12b-sgRNA-extended non-target DNA ternary complex (Complex-C)
Descriptor: C2c1 CRISPR-Cas endonuclease RuvC-like domain-containing protein, CALCIUM ION, Non-target DNA strand, ...
Authors:Li, Y, Li, J, Pei, X, Gan, J, Lin, J.
Deposit date:2024-11-14
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Catalytic-state structure of Candidatus Hydrogenedentes Cas12b revealed by cryo-EM studies.
Nucleic Acids Res., 53, 2025
9KLO
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BU of 9klo by Molmil
Cryo-EM structure of ChCas12b-sgRNA-extended non-target DNA ternary complex (Complex-B)
Descriptor: C2c1 CRISPR-Cas endonuclease RuvC-like domain-containing protein, CALCIUM ION, Non-target DNA strand, ...
Authors:Li, Y, Li, J, Pei, X, Gan, J, Lin, J.
Deposit date:2024-11-15
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Catalytic-state structure of Candidatus Hydrogenedentes Cas12b revealed by cryo-EM studies.
Nucleic Acids Res., 53, 2025
9KLN
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BU of 9kln by Molmil
Cryo-EM structure of ChCas12b-sgRNA-target DNA ternary complex (Complex-A)
Descriptor: C2c1 CRISPR-Cas endonuclease RuvC-like domain-containing protein, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Li, Y, Li, J, Pei, X, Gan, J, Lin, J.
Deposit date:2024-11-14
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Catalytic-state structure of Candidatus Hydrogenedentes Cas12b revealed by cryo-EM studies.
Nucleic Acids Res., 53, 2025
9KLQ
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BU of 9klq by Molmil
Cryo-EM structure of ChCas12b-sgRNA-extended non-target DNA ternary complex (Complex-D)
Descriptor: C2c1 CRISPR-Cas endonuclease RuvC-like domain-containing protein, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Li, Y, Li, J, Pei, X, Gan, J, Lin, J.
Deposit date:2024-11-14
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Catalytic-state structure of Candidatus Hydrogenedentes Cas12b revealed by cryo-EM studies.
Nucleic Acids Res., 53, 2025
4LJY
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BU of 4ljy by Molmil
Crystal structure of RNA splicing effector Prp5 in complex with ADP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
Descriptor: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
1U5B
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BU of 1u5b by Molmil
Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase
Descriptor: 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, GLYCEROL, ...
Authors:Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-07-27
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation
Structure, 12, 2004
4LAD
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BU of 4lad by Molmil
Crystal Structure of the Ube2g2:RING-G2BR complex
Descriptor: E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ...
Authors:Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X.
Deposit date:2013-06-19
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
4U7T
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BU of 4u7t by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with histone H3
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
8HVN
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BU of 8hvn by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8HQH
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BU of 8hqh by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023

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