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7XFH
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BU of 7xfh by Molmil
Structure of nucleosome-AAG complex (A-30I, post-catalytic state)
分子名称: DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ...
著者Zheng, L, Tsai, B, Gao, N.
登録日2022-04-01
公開日2023-04-19
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
7XFC
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BU of 7xfc by Molmil
Structure of nucleosome-DI complex (-30I, Apo state)
分子名称: DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Zheng, L, Tsai, B, Gao, N.
登録日2022-04-01
公開日2023-04-19
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
7XFI
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BU of 7xfi by Molmil
Structure of nucleosome-DI complex (-50I, Apo state)
分子名称: DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Zheng, L, Tsai, B, Gao, N.
登録日2022-04-01
公開日2023-04-19
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
6IRO
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BU of 6iro by Molmil
the crosslinked complex of ISWI-nucleosome in the ADP-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (167-MER), Histone H2A, ...
著者Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
登録日2018-11-13
公開日2019-04-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat. Struct. Mol. Biol., 26, 2019
7WD3
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BU of 7wd3 by Molmil
Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine
分子名称: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2021-12-21
公開日2022-12-14
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
6K1P
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BU of 6k1p by Molmil
The complex of ISWI-nucleosome in the ADP.BeF-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
著者Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
登録日2019-05-10
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
7WBB
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BU of 7wbb by Molmil
Cryo-EM structure of substrate engaged Drg1 hexamer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, AFG2 isoform 1, substrate
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2021-12-16
公開日2022-12-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
5XXB
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BU of 5xxb by Molmil
Large subunit of Toxoplasma gondii ribosome
分子名称: 25S RNA, 5.8S RNA, 5S RNA, ...
著者Li, Z, Guo, Q, Zheng, L, Ji, Y, Xie, Y, Lai, D, Lun, Z, Suo, X, Gao, N.
登録日2017-07-03
公開日2017-08-30
最終更新日2017-10-18
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Cryo-EM structures of the 80S ribosomes from human parasites Trichomonas vaginalis and Toxoplasma gondii
Cell Res., 27, 2017
7YKT
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BU of 7ykt by Molmil
Cryo-EM structure of Drg1 hexamer in helical state treated with ADP/AMPPNP/benzo-diazaborine
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-23
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7YKL
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BU of 7ykl by Molmil
Cryo-EM structure of Drg1 hexamer treated with AMPPNP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-22
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
6JYL
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BU of 6jyl by Molmil
The crosslinked complex of ISWI-nucleosome in the ADP.BeF-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ...
著者Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C.
登録日2019-04-26
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Nat.Struct.Mol.Biol., 26, 2019
7YKK
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BU of 7ykk by Molmil
Cryo-EM structure of Drg1 hexamer treated with ADP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-22
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7YKZ
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BU of 7ykz by Molmil
Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine
分子名称: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Ma, C.Y, Wu, D.M, Chen, Q, Gao, N.
登録日2022-07-25
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition.
Nat Commun, 13, 2022
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
分子名称: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Olivier, N.B, Lahiri, S.D, Prince, D.B.
登録日2014-01-22
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
分子名称: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1Z
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BU of 5n1z by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017

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