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5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
分子名称: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
分子名称: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
分子名称: SspE protein
著者Bing, Y.Z, Yang, H.G.
登録日2019-02-23
公開日2020-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6JUF
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BU of 6juf by Molmil
SspB crystal structure
分子名称: SspB protein
著者Liqiong, L, Yubing, Z.
登録日2019-04-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
6CEZ
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BU of 6cez by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB
分子名称: HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2
著者Kong, X, Pan, R.
登録日2018-02-13
公開日2018-09-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
2OBT
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BU of 2obt by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type B
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
2OBS
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BU of 2obs by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type A
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-gulopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
7OLX
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BU of 7olx by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
分子名称: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLV
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BU of 7olv by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
分子名称: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
2R7P
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BU of 2r7p by Molmil
Crystal Structure of H225A NSP2 and AMPPNP complex
分子名称: Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kumar, M, Prasad, B.V.V.
登録日2007-09-09
公開日2007-10-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
2R7C
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BU of 2r7c by Molmil
Crystallographic and biochemical analysis of rotavirus NSP2 with nucleotides reveals an NDP kinase like activity
分子名称: Non-structural RNA-binding protein 35, PHOSPHATE ION
著者Kumar, M, Prasad, B.V.V.
登録日2007-09-07
公開日2007-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
2R8F
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BU of 2r8f by Molmil
Crystal structure of H225A NSP2 and ATP-gS complex
分子名称: Non-structural RNA-binding protein 35, PHOSPHATE ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Kumar, M, Prasad, B.V.V.
登録日2007-09-10
公開日2007-10-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
8XKF
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BU of 8xkf by Molmil
Crystal structure of Helicobacter pylori IspDF with substrate CTP
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XKG
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BU of 8xkg by Molmil
Crystal structure of Acinetobacter baumannii IspD
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XHU
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BU of 8xhu by Molmil
Crystal structure of Helicobacter pylori IspDF
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-18
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
分子名称: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
著者Dunham, N.P, Boal, A.K.
登録日2017-05-01
公開日2017-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
8X8O
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BU of 8x8o by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41) in 5 mM EDTA
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
8X8M
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BU of 8x8m by Molmil
Cryo-EM structure of a bacteriophage tail- spike protein against Klebsiella pneumoniae K64,ORF41(K64-ORF41)
分子名称: Probable tail spike protein
著者Xie, Y, Huang, T, Zhang, Z, Tao, X.
登録日2023-11-27
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Structural and functional basis of bacteriophage K64-ORF41 depolymerase for capsular polysaccharide degradation of Klebsiella pneumoniae K64.
Int.J.Biol.Macromol., 265, 2024
2R7J
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BU of 2r7j by Molmil
Crystal Structure of rotavirus non structural protein NSP2 with H225A mutation
分子名称: Non-structural RNA-binding protein 35
著者Kumar, M, Jayaram, H, Prasad, B.V.V.
登録日2007-09-09
公開日2007-10-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
J.Virol., 81, 2007
6WNK
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BU of 6wnk by Molmil
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
分子名称: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ...
著者Hsu, H.C, Li, H.
登録日2020-04-22
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J.Med.Chem., 64, 2021
8HM2
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BU of 8hm2 by Molmil
Crystal structure of human ubiquitin-like protein from bacteroides fragilis c terminal cysteine mutant
分子名称: Putative ubiquitin
著者Tong, M, Chen, Z, Gao, X.
登録日2022-12-02
公開日2023-11-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024

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