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8E8K
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BU of 8e8k by Molmil
Human DNA polymerase eta-DNA-rC-ended primer-dGMPNPP ternary mismatch complex with Mg2+
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*AP*TP*TP*GP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E8E
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BU of 8e8e by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 90s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-08-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Ye, F, Chen, S.J.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2023-05-03
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPZ
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BU of 8spz by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
Descriptor: Apoptosis regulator BAX, SULFATE ION
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-05-04
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SVK
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BU of 8svk by Molmil
Crystal structure of Bax D71N core domain BH3-groove dimer
Descriptor: Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-16
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPF
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BU of 8spf by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
Authors:Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-03
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SRX
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BU of 8srx by Molmil
Crystal structure of BAK-BAX heterodimer with lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-07
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-08
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
5C90
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BU of 5c90 by Molmil
Staphylococcus aureus ClpP mutant - Y63A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G.
Deposit date:2015-06-26
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
4QKN
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BU of 4qkn by Molmil
Crystal structure of FTO bound to a selective inhibitor
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
Authors:Yang, C.-G, Huang, Y, Gan, J.
Deposit date:2014-06-07
Release date:2014-12-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
1QA7
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BU of 1qa7 by Molmil
CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ...
Authors:Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G.
Deposit date:1999-04-15
Release date:1999-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV.
Virology, 265, 1999
6BOZ
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BU of 6boz by Molmil
Structure of human SETD8 in complex with covalent inhibitor MS4138
Descriptor: 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A
Authors:Babault, N, Anqi, M, Jin, J.
Deposit date:2017-11-21
Release date:2019-05-01
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
8WOZ
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BU of 8woz by Molmil
Cryo-EM structure of SARS-CoV RBD in complex with rabbit ACE2
Descriptor: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
Authors:Li, L.J, Shi, K.Y, Yu, G.H, Gao, G.F.
Deposit date:2023-10-08
Release date:2023-12-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis of increased binding affinities of spikes from SARS-CoV-2 Omicron variants to rabbit and hare ACE2s reveals the expanding host tendency.
Mbio, 15, 2024
8WOX
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BU of 8wox by Molmil
Cryo-EM structure of SARS-CoV-2 prototype RBD in complex with rabbit ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Li, L.J, Shi, K.Y, Yu, G.H, Gao, G.F.
Deposit date:2023-10-08
Release date:2023-12-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural basis of increased binding affinities of spikes from SARS-CoV-2 Omicron variants to rabbit and hare ACE2s reveals the expanding host tendency.
Mbio, 15, 2024
8WOY
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BU of 8woy by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with rabbit ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Li, L.J, Shi, K.Y, Yu, G.H, Gao, G.F.
Deposit date:2023-10-08
Release date:2023-12-13
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis of increased binding affinities of spikes from SARS-CoV-2 Omicron variants to rabbit and hare ACE2s reveals the expanding host tendency.
Mbio, 15, 2024
5GON
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BU of 5gon by Molmil
Structures of a beta-lactam bridged analogue in complex with tubulin
Descriptor: (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhou, L, Liu, Y, Cheng, L, Wang, Y.
Deposit date:2016-07-28
Release date:2017-03-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Potent Antitumor Activities and Structure Basis of the Chiral beta-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin.
J. Med. Chem., 59, 2016
8KDM
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BU of 8kdm by Molmil
Structure of SARS-CoV Spike protein complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEJ
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BU of 8kej by Molmil
Monomer state of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-11
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEP
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BU of 8kep by Molmil
The local refined map of SARS-CoV-2 Omicron BA.1 Spike complexed with antibody PW5-570
Descriptor: PW5-570 heavy chain, PW5-570 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KDT
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BU of 8kdt by Molmil
The local refined map of SARS-CoV Spike protein complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEK
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BU of 8kek by Molmil
Monomer state of SARS-CoV Spike protein complexed with antibody PW5-535
Descriptor: PW5-535 heavy chain, PW5-535 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-11
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KDR
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BU of 8kdr by Molmil
The local refined map of SARS-CoV-2 XBB Variant Spike protein complexed with antibody PW5-535
Descriptor: PW5-535 heavy chain, PW5-535 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024

225399

数据于2024-09-25公开中

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