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7Q8F
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Peptide GNYKEAKK in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8Q
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BU of 7q8q by Molmil
Peptide RLSAKP in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8P
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BU of 7q8p by Molmil
Peptide LLKVAL in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7Q8M
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BU of 7q8m by Molmil
Peptide KPKKKTK in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, GLYCEROL, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QFF
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BU of 7qff by Molmil
Peptide VACKSSQP in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-VAL-ALA-CYS-LYS, CHLORIDE ION, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QHJ
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BU of 7qhj by Molmil
Peptide GAKSAA in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-13
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QFH
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BU of 7qfh by Molmil
Peptide AYFKKVL in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AMINO GROUP, CHLORIDE ION, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
7QHK
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BU of 7qhk by Molmil
Peptide QLRQQE in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-13
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
4OFZ
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BU of 4ofz by Molmil
Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi
分子名称: MAGNESIUM ION, Trehalose-phosphatase
著者Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D.
登録日2014-01-15
公開日2014-07-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs.
Plos Pathog., 10, 2014
5Y25
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BU of 5y25 by Molmil
EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
分子名称: (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor
著者Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A.
登録日2017-07-24
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
4PF3
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BU of 4pf3 by Molmil
Mineralocorticoid receptor ligand-binding domain with compuond 37a
分子名称: 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor
著者Sogabe, S, Habuka, N.
登録日2014-04-28
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
6DKF
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BU of 6dkf by Molmil
Caseinolytic protease (ClpP) from Staphylococcus aureus mutant - V7A
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ripstein, Z.A, Vahidi, S, Kay, L.E, Rubinstein, J.L.
登録日2018-05-29
公開日2018-06-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reversible inhibition of the ClpP protease via an N-terminal conformational switch.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7VAF
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BU of 7vaf by Molmil
Cryo-EM structure of Rat NTCP complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
著者Asami, J, Shimizu, T, Ohto, U.
登録日2021-08-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAG
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BU of 7vag by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab in the presence of myristoylated preS1 peptide
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
著者Asami, J, Shimizu, T, Ohto, U.
登録日2021-08-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAD
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BU of 7vad by Molmil
Cryo-EM structure of human NTCP complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
著者Asami, J, Shimizu, T, Ohto, U.
登録日2021-08-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7VAE
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BU of 7vae by Molmil
Cryo-EM structure of bovine NTCP complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Solute carrier family 10 (Sodium/bile acid cotransporter family), ...
著者Asami, J, Shimizu, T, Ohto, U.
登録日2021-08-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
7WSI
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BU of 7wsi by Molmil
Cryo-EM structure of human NTCP (wild-type) complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
著者Asami, J, Shimizu, T, Ohto, U.
登録日2022-01-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
3VHV
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BU of 3vhv by Molmil
Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist
分子名称: 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ...
著者Sogabe, S, Habuka, N.
登録日2011-09-07
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
3VHU
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BU of 3vhu by Molmil
Mineralocorticoid receptor ligand-binding domain with spironolactone
分子名称: Mineralocorticoid receptor, SPIRONOLACTONE
著者Sogabe, S, Habuka, N.
登録日2011-09-07
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
7YCA
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BU of 7yca by Molmil
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
登録日2022-07-01
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
4U2J
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BU of 4u2j by Molmil
N-terminal domain of C. Reinhardtii SAS-6 homolog bld12p variant Q93E F145W (NN27)
分子名称: Centriole protein
著者Hilbert, M, Kraatz, S.H.W.
登録日2014-07-17
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SAS-6 engineering reveals interdependence between cartwheel and microtubules in determining centriole architecture.
Nat.Cell Biol., 18, 2016
4U2I
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BU of 4u2i by Molmil
N-terminal domain of C. Rheinhardtii SAS-6 homolog bld12p Q93E G94D K146R Q147R (NN23)
分子名称: Centriole protein
著者Hilbert, M, Kraatz, S.H.W.
登録日2014-07-17
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献SAS-6 engineering reveals interdependence between cartwheel and microtubules in determining centriole architecture.
Nat.Cell Biol., 18, 2016
5D5Q
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BU of 5d5q by Molmil
HcgB from Methanocaldococcus jannaschii with the pyridinol derived from FeGP cofactor of [Fe]-hydrogenase
分子名称: (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid, Uncharacterized protein MJ0488, Guanylyltransferase
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-08-11
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase.
Faraday Discuss., 198, 2017
6R9H
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BU of 6r9h by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment C58
分子名称: (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid, ACETATE ION, PHOSPHATE ION, ...
著者Feracci, M, Barral, K.
登録日2019-04-03
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020
6RLC
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BU of 6rlc by Molmil
Crystal structure of the PDZ tandem of syntenin in complex with fragment F13
分子名称: (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid, ACETATE ION, Syntenin-1
著者Feracci, M, Barral, K.
登録日2019-05-02
公開日2021-02-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020

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