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7CA8
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BU of 7ca8 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
2LKM
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BU of 2lkm by Molmil
Structural Basis for Molecular Interactions Involving MRG Domains: Implications in Chromatin Biology
分子名称: Mortality factor 4-like protein 1, PHD finger protein 12
著者Xie, T, Radhakrishnan, I.
登録日2011-10-16
公開日2012-01-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for molecular interactions involving MRG domains: implications in chromatin biology.
Structure, 20, 2012
5Z4Y
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BU of 5z4y by Molmil
Crystal structure of PaCysB NTD domain with space group P4
分子名称: Cys regulon transcriptional activator, GLYCEROL
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-18
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5Z1W
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BU of 5z1w by Molmil
Cryo-EM structure of polycystic kidney disease-like channel PKD2L1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein
著者Zhang, Y.Q.
登録日2017-12-28
公開日2018-03-28
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of the polycystic kidney disease-like channel PKD2L1.
Nat Commun, 9, 2018
3SWJ
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BU of 3swj by Molmil
Crystal structure of Campylobacter jejuni ChuZ
分子名称: AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein
著者Hu, Y.
登録日2011-07-14
公開日2011-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
4P6G
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BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
分子名称: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
著者Wang, Y, Jadhav, P.K.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
7YZS
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BU of 7yzs by Molmil
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovose
分子名称: 6-deoxy-6-sulfo-beta-D-glucopyranose, Sulfoquinovosyl binding protein
著者Snow, A.J.D, Davies, G.J.
登録日2022-02-21
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
7D5I
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BU of 7d5i by Molmil
Structure of Mycobacterium smegmatis bd complex in the apo-form.
分子名称: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome D ubiquinol oxidase subunit 1, HEME B/C, ...
著者Wang, W, Gong, H, Gao, Y, Zhou, X, Rao, Z.
登録日2020-09-26
公開日2021-06-23
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels.
Nat Commun, 12, 2021
7YZU
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BU of 7yzu by Molmil
Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with SQMe
分子名称: Sulfoquinovosyl binding protein, [(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
著者Snow, A.J.D, Davies, G.J.
登録日2022-02-21
公開日2022-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
4K6H
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BU of 4k6h by Molmil
Crystal structure of CALB mutant L278M from Candida antarctica
分子名称: 1,2-ETHANEDIOL, Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-15
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2021-10-15
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
分子名称: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
分子名称: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
分子名称: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
分子名称: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
分子名称: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
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, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
3C3V
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BU of 3c3v by Molmil
Crystal structure of peanut major allergen ara h 3
分子名称: Arachin Arah3 isoform, SODIUM ION
著者Jin, T, Zhang, Y.
登録日2008-01-28
公開日2009-02-24
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of Ara h 3, a major allergen in peanut.
Mol.Immunol., 46, 2009
3SX2
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BU of 3sx2 by Molmil
Crystal structure of a putative 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium paratuberculosis in complex with NAD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative 3-ketoacyl-(acyl-carrier-protein) reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-07-14
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
7DEG
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BU of 7deg by Molmil
Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ...
著者Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z.
登録日2020-11-04
公開日2021-08-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
7KTQ
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BU of 7ktq by Molmil
Nucleosome from a dimeric PRC2 bound to a nucleosome
分子名称: 601 DNA (167-MER), Histone H2A, Histone H2B, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-24
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
2M0X
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BU of 2m0x by Molmil
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
分子名称: engineered ubiquitin variant
著者Phillips, A.H, Fairbrother, W.J, Corn, J.E.
登録日2012-11-08
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
4K6G
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BU of 4k6g by Molmil
Crystal structure of CALB from Candida antarctica
分子名称: 1,2-ETHANEDIOL, Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-15
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
分子名称: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
著者Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
登録日2021-10-05
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022

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