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PDB: 77 results

8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
Authors:Zhu, C.J.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89288354 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
Descriptor: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-06-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.95020175 Å)
Cite:Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023
7PYK
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BU of 7pyk by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA (NusA elongation complex in more-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-10
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7Q0J
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BU of 7q0j by Molmil
RNA polymerase elongation complex in more-swiveled conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-15
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY0
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BU of 7py0 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusG (NusG-EC in more-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-08
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY7
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BU of 7py7 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA and NusG (NusA and NusG elongation complex in more-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-09
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY8
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BU of 7py8 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusG (NusG-EC in less-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-09
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY5
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BU of 7py5 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA and NusG (the consensus NusA-NusG-EC)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-09
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY3
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BU of 7py3 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA (the consensus NusA-EC)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-08
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7Q0K
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BU of 7q0k by Molmil
RNA polymerase elongation complex in less-swiveled conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-15
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY6
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BU of 7py6 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA and NusG (NusA and NusG elongation complex in less-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-09
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PY1
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BU of 7py1 by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusG (the consensus NusG-EC)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-08
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7PYJ
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BU of 7pyj by Molmil
CryoEM structure of E.coli RNA polymerase elongation complex bound to NusA (NusA elongation complex in less-swiveled conformation)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhu, C, Guo, X, Weixlbaumer, A.
Deposit date:2021-10-10
Release date:2022-03-23
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
4RXO
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BU of 4rxo by Molmil
The structure of GTP-bound SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RXS
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BU of 4rxs by Molmil
The structure of GTP-dTTP-bound SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RXR
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BU of 4rxr by Molmil
The structure of GTP-dCTP-bound SAMHD1
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RXQ
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BU of 4rxq by Molmil
The structure of GTP-dUTP-bound SAMHD1
Descriptor: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RXP
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BU of 4rxp by Molmil
The structure of GTP-dATP-bound SAMHD1
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
6CFE
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BU of 6cfe by Molmil
Crystal structure of C2S5: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
Descriptor: Mutant of Apolipoprotein E3 (APO-E3)
Authors:Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
Deposit date:2018-02-14
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
5ITX
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BU of 5itx by Molmil
Crystal Structure of Human NEIL1(P2G R242K) bound to duplex DNA containing Thymine Glycol
Descriptor: DNA (26-MER), Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
4NID
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BU of 4nid by Molmil
Crystal structure of AlkB protein with cofactors bound to dsDNA containing m6A
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ...
Authors:Zhu, C.X, Yi, C.Q.
Deposit date:2013-11-06
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues.
Angew.Chem.Int.Ed.Engl., 53, 2014
5ITU
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BU of 5itu by Molmil
Crystal Structure of Human NEIL1(242K) bound to duplex DNA containing THF
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*AP*CP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
5ITT
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BU of 5itt by Molmil
Crystal Structure of Human NEIL1 bound to duplex DNA containing THF
Descriptor: DNA (26-MER), Endonuclease 8-like 1, GLYCEROL
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
5ITR
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BU of 5itr by Molmil
Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing THF
Descriptor: DNA (26-MER), Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016

 

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數據於2024-05-08公開中

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