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5QOF
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BU of 5qof by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_8)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QND
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BU of 5qnd by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H7_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QNT
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BU of 5qnt by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QO9
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BU of 5qo9 by Molmil
Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
8JW0
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BU of 8jw0 by Molmil
PSI-AcpPCI supercomplex from Amphidinium carterae
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-06-28
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JZF
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BU of 8jzf by Molmil
PSI-AcpPCI supercomplex from Symbiodinium
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, X.Y, Li, Z.H, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JZE
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BU of 8jze by Molmil
PSI-AcpPCI supercomplex from Symbiodinium
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Li, Z.H, Li, X.Y, Wang, W.D.
登録日2023-07-05
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Proc.Natl.Acad.Sci.USA, 121, 2024
7KPY
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BU of 7kpy by Molmil
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
分子名称: 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase
著者Schonbrunn, E, Bikowitz, M.
登録日2020-11-12
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
5HIZ
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BU of 5hiz by Molmil
The structure of PEDV NSP9
分子名称: Non-structural protein 9
著者Deng, F, Peng, G.
登録日2016-01-12
公開日2017-01-25
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
5HIY
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BU of 5hiy by Molmil
Crystal structure of PEDV NSP9 Mutant-C59A
分子名称: Non-structural protein 9
著者Deng, F, Peng, G.
登録日2016-01-12
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
6LIS
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BU of 6lis by Molmil
ASFV dUTPase in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-12
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
著者Liang, R, Peng, G.Q.
登録日2019-12-13
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJO
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BU of 6ljo by Molmil
African swine fever virus dUTPase
分子名称: E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-17
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
3SHZ
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BU of 3shz by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SHY
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BU of 3shy by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
8IHM
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BU of 8ihm by Molmil
Eaf3 CHD domain bound to the nucleosome
分子名称: Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ...
著者Zhang, Y, Gang, C.
登録日2023-02-23
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
8IHN
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BU of 8ihn by Molmil
Cryo-EM structure of the Rpd3S core complex
分子名称: CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ...
著者Zhang, Y, Gang, C.
登録日2023-02-23
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
8IHT
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BU of 8iht by Molmil
Rpd3S bound to the nucleosome
分子名称: CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ...
著者Zhang, Y, Gang, C.
登録日2023-02-23
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
5YM8
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BU of 5ym8 by Molmil
Crystal Structure of porcine delta coronavirus nsp9-N7
分子名称: nsp9
著者Zeng, Z, Peng, G.Q.
登録日2017-10-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
8FKM
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BU of 8fkm by Molmil
Human Atg3 with deletions of residues 1 to 25 and 90 to 190
分子名称: Ubiquitin-like-conjugating enzyme ATG3
著者Ye, Y.S, Tian, F.
登録日2022-12-21
公開日2023-09-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multifaceted membrane interactions of human Atg3 promote LC3-phosphatidylethanolamine conjugation during autophagy.
Nat Commun, 14, 2023
5YM6
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BU of 5ym6 by Molmil
Crystal Structure of porcine delta coronavirus nsp9
分子名称: nsp9
著者Zeng, Z, Peng, G.Q.
登録日2017-10-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Dimerization of Coronavirus nsp9 with Diverse Modes Enhances Its Nucleic Acid Binding Affinity.
J.Virol., 92, 2018
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
著者Li, J.X, Wang, G.D, Zhang, P.
登録日2020-04-27
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
分子名称: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
著者Li, J.X, Wang, G.D, Zhang, P.
登録日2020-04-27
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
1J6T
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BU of 1j6t by Molmil
COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
分子名称: PHOSPHITE ION, PTS SYSTEM, MANNITOL-SPECIFIC IIABC COMPONENT, ...
著者Clore, G.M, Cornilescu, G.
登録日2002-08-14
公開日2002-11-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of the Phosphoryl Transfer Complex between the Cytoplasmic A Domain of the Mannitol Transporter IImannitol and HPr of the Escherichia coli Phosphotransferase System
J.Biol.Chem., 277, 2002

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件を2024-07-10に公開中

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