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8YHX
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BU of 8yhx by Molmil
Cryo-EM structure of the trimeric HerA
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, DUF87 domain-containing protein, SIR2 family protein
Authors:Zhen, X, Zhou, B, Xiong, X.
Deposit date:2024-02-28
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Mechanistic basis for the allosteric activation of NADase activity in the Sir2-HerA antiphage defense system.
Nat Commun, 15, 2024
8YHO
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BU of 8yho by Molmil
Cryo-EM structure of the trimeric HerA
Descriptor: DUF87 domain-containing protein
Authors:Zhen, X, Xiong, X.
Deposit date:2024-02-28
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanistic basis for the allosteric activation of NADase activity in the Sir2-HerA antiphage defense system.
Nat Commun, 15, 2024
6KKI
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BU of 6kki by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded conformation
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
8WX0
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BU of 8wx0 by Molmil
PNPase of M.tuberculosis with its RNA substrate
Descriptor: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer)
Authors:Wang, N, Sheng, Y.N.
Deposit date:2023-10-27
Release date:2024-07-03
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8X73
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BU of 8x73 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-069
Descriptor: Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8WXF
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BU of 8wxf by Molmil
PNPase of Mycobacterium tuberculosis
Descriptor: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
Authors:Wang, N, Sheng, Y.N, Liu, Y.T.
Deposit date:2023-10-29
Release date:2024-07-03
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8X71
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BU of 8x71 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-064
Descriptor: Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7XR3
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BU of 7xr3 by Molmil
3.4 Angstrom cryoEM D5 reconstruction of mud crab reovirus
Descriptor: VP1, VP3
Authors:Zhang, Q.F, Gao, Y.Z.
Deposit date:2022-05-09
Release date:2023-04-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
5YEJ
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BU of 5yej by Molmil
Crystal structure of BioQ with its naturel double-stranded DNA operator
Descriptor: DNA (5'-D(*AP*CP*CP*TP*GP*AP*AP*CP*AP*CP*CP*GP*TP*TP*CP*AP*AP*GP*T)-3'), DNA (5'-D(*AP*CP*TP*TP*GP*AP*AP*CP*GP*GP*TP*GP*TP*TP*CP*AP*GP*GP*T)-3'), TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
5YEK
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BU of 5yek by Molmil
Crystal structure of BioQ
Descriptor: TetR family transcriptional regulator
Authors:Yan, L, Guan, Z.Y, Zou, T.T.
Deposit date:2017-09-17
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
5Y5R
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BU of 5y5r by Molmil
Crystal structure of a novel Pyrethroid Hydrolase PytH with BIF
Descriptor: (2-methyl-3-phenyl-phenyl)methyl (1~{S})-3-[(~{E})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate, Pyrethroid hydrolase, SULFATE ION
Authors:Xu, D.Q, Ran, T.T, Wang, W.W.
Deposit date:2017-08-09
Release date:2018-08-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure and Catalytic Mechanism of a Novel Pyrethroid Hydrolase from Sphingobium faniae JZ-2
To Be Published
6AEO
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BU of 6aeo by Molmil
TssL periplasmic domain
Descriptor: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,TssL
Authors:Ran, T.T, Wang, W.W, Wang, X.B, Xu, D.Q.
Deposit date:2018-08-06
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the periplasmic domain of TssL, a key membrane component of Type VI secretion system.
Int.J.Biol.Macromol., 120, 2018
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7XR2
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BU of 7xr2 by Molmil
3.1 Angstrom cryoEM icosahedral reconstruction of mud crab reovirus
Descriptor: VP11, VP12, VP3
Authors:Zhang, Q, Gao, Y.
Deposit date:2022-05-09
Release date:2023-04-19
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
5ZJK
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BU of 5zjk by Molmil
Structure of myroilysin
Descriptor: Myroilysin, PHOSPHATE ION, ZINC ION
Authors:Li, W.D, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2018-03-20
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of mature myroilysin and implication for its activation mechanism.
Int.J.Biol.Macromol., 2019
8H66
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BU of 8h66 by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with propionyl-CoA
Descriptor: Histone acetyltransferase KAT2A, propionyl Coenzyme A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-15
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H6D
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BU of 8h6d by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with glutaryl-CoA
Descriptor: Histone acetyltransferase KAT2A, glutaryl-coenzyme A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H6C
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BU of 8h6c by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with malonyl-CoA
Descriptor: Histone acetyltransferase KAT2A, MALONYL-COENZYME A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H65
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BU of 8h65 by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with butyryl-CoA
Descriptor: Butyryl Coenzyme A, Histone acetyltransferase KAT2A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-15
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
9IWY
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BU of 9iwy by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with LK01003
Descriptor: 2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine, Receptor-interacting serine/threonine-protein kinase 3
Authors:Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
Deposit date:2024-07-26
Release date:2025-05-07
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IX2
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BU of 9ix2 by Molmil
Crystal structure of the mouse RIP3 kinase domain in complexed with TAK-632
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
Deposit date:2024-07-26
Release date:2025-05-07
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025
9IWX
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BU of 9iwx by Molmil
Crystal structure of the mouse RIP3 kinase domain(R69H) in complexed with GSK'872
Descriptor: Receptor-interacting serine/threonine-protein kinase 3, ~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
Authors:Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
Deposit date:2024-07-26
Release date:2025-05-07
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-based design of potent and selective inhibitors targeting RIPK3 for eliminating on-target toxicity in vitro.
Nat Commun, 16, 2025

238582

数据于2025-07-09公开中

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