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6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
著者Gabale, U, Ressl, S.
登録日2019-12-20
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
6VDF
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BU of 6vdf by Molmil
Structure of the periplasmic domain of YejM from Salmonella typhimurium (twinned)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Gabale, U, Ressl, S.
登録日2019-12-25
公開日2020-08-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
2W0J
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BU of 2w0j by Molmil
Crystal structure of Chk2 in complex with NSC 109555, a specific inhibitor
分子名称: 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE), NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Tropea, J.E, Zhang, D, Jobson, A.G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
登録日2008-08-18
公開日2009-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Checkpoint Kinase 2 in Complex with Nsc 109555, a Potent and Selective Inhibitor
Protein Sci., 18, 2009
4FJO
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BU of 4fjo by Molmil
Structure of the Rev1 CTD-Rev3/7-Pol kappa RIR complex
分子名称: DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
著者Wojtaszek, J, Lee, C.-J, Zhou, P.
登録日2012-06-11
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric Pol zeta and Pol kappa
J.Biol.Chem., 287, 2012
2IJN
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BU of 2ijn by Molmil
Isothiazoles as active-site inhibitors of HCV NS5B polymerase
分子名称: (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE, RNA polymerase NS5B
著者Yan, S, Yao, N.
登録日2006-09-29
公開日2006-11-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 17, 2007
4O6G
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BU of 4o6g by Molmil
Rv3902c from M. tuberculosis
分子名称: Uncharacterized protein
著者Reddy, B.G, Moates, D.B, Kim, H, Green, T.J, Kim, C, Terwilliger, T.J, Delucas, L.J, TB Structural Genomics Consortium (TBSGC)
登録日2013-12-20
公開日2014-03-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
5XB1
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BU of 5xb1 by Molmil
human ferritin mutant - E-helix deletion
分子名称: Ferritin heavy chain
著者Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y.
登録日2017-03-15
公開日2018-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
5YI5
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BU of 5yi5 by Molmil
human ferritin mutant - E-helix deletion
分子名称: Ferritin heavy chain
著者Lee, S.G, Yoon, H.R, Ahn, B.J, Jeong, H, Hyun, J, Jung, Y, Kim, H.
登録日2017-10-02
公開日2018-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
8JZM
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BU of 8jzm by Molmil
The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210
分子名称: Toll/interleukin-1 receptor domain-containing adapter protein
著者Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B.
登録日2023-07-05
公開日2024-05-01
実験手法SOLUTION NMR
主引用文献o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
7KNW
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BU of 7knw by Molmil
Crystal structure of SND1 in complex with C-26-A2
分子名称: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
分子名称: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
6IJR
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BU of 6ijr by Molmil
Human PPARgamma ligand binding domain complexed with SB1495
分子名称: 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma
著者Jang, J.Y, Han, B.W.
登録日2018-10-11
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
6JQ7
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BU of 6jq7 by Molmil
The ligand-free structure of human PPARgamma LBD in the presence of the SRC-1 coactivator peptide
分子名称: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Jang, J.Y, Han, B.W.
登録日2019-03-29
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
5VE8
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BU of 5ve8 by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H3 1-28
分子名称: Histone H3, Kap123
著者An, S, Yoon, J, Song, J.-J, Cho, U.-S.
登録日2017-04-04
公開日2017-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
5W0V
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BU of 5w0v by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H4 1-34
分子名称: Histone H4 1-34, Kap123
著者An, S, Yoon, J, Song, J.-J, Cho, U.-S.
登録日2017-05-31
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
5VCH
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BU of 5vch by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123
分子名称: Kap123
著者An, S, Yoon, J, Song, J.-J, Cho, U.-S.
登録日2017-03-31
公開日2017-11-01
最終更新日2022-03-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
5VKT
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BU of 5vkt by Molmil
Cinnamyl alcohol dehydrogenases (SbCAD4) from Sorghum bicolor (L.) Moench
分子名称: ACETATE ION, Cinnamyl alcohol dehydrogenases (SbCAD4), D-MALATE, ...
著者Walker, A.M, Jun, S.Y, Kang, C.
登録日2017-04-22
公開日2017-08-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.827 Å)
主引用文献The Enzyme Activity and Substrate Specificity of Two Major Cinnamyl Alcohol Dehydrogenases in Sorghum (Sorghum bicolor), SbCAD2 and SbCAD4.
Plant Physiol., 174, 2017
6IJS
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BU of 6ijs by Molmil
Human PPARgamma ligand binding domain complexed with SB1494
分子名称: 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma
著者Jang, J.Y, Han, B.W.
登録日2018-10-11
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
1LCP
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BU of 1lcp by Molmil
BOVINE LENS LEUCINE AMINOPEPTIDASE COMPLEXED WITH L-LEUCINE PHOSPHONIC ACID
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, LEUCINE AMINOPEPTIDASE, LEUCINE PHOSPHONIC ACID, ...
著者Straeter, N, Lipscomb, W.N.
登録日1995-05-12
公開日1995-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Transition state analogue L-leucinephosphonic acid bound to bovine lens leucine aminopeptidase: X-ray structure at 1.65 A resolution in a new crystal form.
Biochemistry, 34, 1995
3GW8
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BU of 3gw8 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with vanadate and glycerol
分子名称: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-31
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3GP5
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BU of 3gp5 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 3-phosphoglyceric acid and vanadate
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-20
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3GP3
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BU of 3gp3 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 2-phosphoserine
分子名称: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, PHOSPHITE ION, PHOSPHOSERINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-20
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
2LM4
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BU of 2lm4 by Molmil
Solution NMR Structure of mitochondrial succinate dehydrogenase assembly factor 2 from Saccharomyces cerevisiae, Northeast Structural Genomics Consortium Target YT682A
分子名称: Succinate dehydrogenase assembly factor 2, mitochondrial
著者Eletsky, A, Winge, D.R, Lee, H, Lee, D, Kohan, E, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2011-11-22
公開日2012-01-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of yeast succinate dehydrogenase flavinylation factor sdh5 reveals a putative sdh1 binding site.
Biochemistry, 51, 2012
7CM0
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BU of 7cm0 by Molmil
Crystal structure of a glutaminyl cyclase in complex with NHV-1009
分子名称: 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H.
登録日2020-07-23
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design.
Eur.J.Med.Chem., 226, 2021

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