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8IW9
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BU of 8iw9 by Molmil
Cryo-EM structure of the CAD-bound mTAAR9-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-29
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
8IWM
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BU of 8iwm by Molmil
Cryo-EM structure of the PEA-bound mTAAR9 complex
分子名称: 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9
著者Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
登録日2023-03-30
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
6M08
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BU of 6m08 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor.
分子名称: (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
4RQT
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BU of 4rqt by Molmil
Alcohol Dehydrogenase Crystal Structure
分子名称: ACETIC ACID, Alcohol dehydrogenase class-P, SULFATE ION, ...
著者Xu, Y.W.
登録日2014-11-05
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insight into the conformational change of alcohol dehydrogenase from arabidopsis Thalianal during coenzyme binding.
Biochimie, 108C, 2014
5WH5
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BU of 5wh5 by Molmil
Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
分子名称: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
6ES2
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BU of 6es2 by Molmil
Structure of CDX2-DNA(CAA)
分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
著者Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
登録日2017-10-19
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-03-26
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
著者Feng, L.L, Feng, L.L.
登録日2023-10-14
公開日2023-11-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
6D6W
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BU of 6d6w by Molmil
Bacteroides uniformis beta-glucuronidase 1 bound to glucuronate
分子名称: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-23
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Feng, L.L, Feng, L.L.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
著者Feng, L.L, Feng, L.L.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
6D8G
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BU of 6d8g by Molmil
D341A D367A calcium binding mutant of Bacteroides uniformis beta-glucuronidase 2
分子名称: Glycosyl hydrolases family 2, sugar binding domain protein, SODIUM ION
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-26
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
4FCF
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BU of 4fcf by Molmil
K234R: apo structure of inhibitor resistant beta-lactamase
分子名称: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2012-05-24
公開日2012-12-26
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
J.Med.Chem., 56, 2013
6DXU
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BU of 6dxu by Molmil
Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS)
分子名称: BICINE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
著者Little, M.S, Redinbo, M.R.
登録日2018-06-30
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
7YQB
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BU of 7yqb by Molmil
Functional and Structural Characterization of Norovirus GII.6 in Recognizing Histo-blood Group Antigens
分子名称: VP1
著者Cong, X, Duan, Z.J.
登録日2022-08-05
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Functional and structural characterization of Norovirus GII.6 in recognizing histo-blood group antigens.
Virol Sin, 38, 2023
4RLU
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BU of 4rlu by Molmil
Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with 2',4,4'-trihydroxychalcone
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 2',4,4'-TRIHYDROXYCHALCONE, ...
著者Li, J, Dong, Y, Rao, Z.H.
登録日2014-10-18
公開日2015-10-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
4RLJ
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BU of 4rlj by Molmil
Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Li, J, Dong, Y, Rao, Z.H.
登録日2014-10-17
公開日2015-10-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
4RLT
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BU of 4rlt by Molmil
Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,7,3',4'-TETRAHYDROXYFLAVONE, ...
著者Li, J, Dong, Y, Rao, Z.H.
登録日2014-10-18
公開日2015-10-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
4WWR
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BU of 4wwr by Molmil
Crystal Structure of Bag6-Ubl4A Dimerization Domain
分子名称: Large proline-rich protein BAG6, Ubiquitin-like protein 4A
著者Mock, J.Y, Chartron, J.W, Clemons Jr, W.M.
登録日2014-11-12
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bag6 complex contains a minimal tail-anchor-targeting module and a mock BAG domain.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
分子名称: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-10-25
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8SLR
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BU of 8slr by Molmil
Crystal Structure of mouse TRAIL
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pedersen, L.C, Xu, D.
登録日2023-04-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
8X6V
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BU of 8x6v by Molmil
Crystal structure of GlacPETase
分子名称: GlacPETase
著者Qi, X, Zhou, N.Y.
登録日2023-11-22
公開日2024-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献The unique salt bridge network in GlacPETase: a key to its stability.
Appl.Environ.Microbiol., 90, 2024
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
分子名称: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-07-07
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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