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7L2W
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BU of 7l2w by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state a
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2S
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BU of 7l2s by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-bound state
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2T
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BU of 7l2t by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 in partial open state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2P
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BU of 7l2p by Molmil
cryo-EM structure of unliganded minimal TRPV1
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2X
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BU of 7l2x by Molmil
cryo-EM structure of RTX-bound minimal TRPV1 with NMDG at state c
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, 1-deoxy-1-(methylamino)-D-allitol, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7KOD
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BU of 7kod by Molmil
Cryo-EM structure of heavy chain mouse apoferritin
分子名称: Ferritin heavy chain
著者Sun, M, Azumaya, C, Tse, E, Frost, A, Southworth, D, Verba, K.A, Cheng, Y, Agard, D.A.
登録日2020-11-08
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.655 Å)
主引用文献Practical considerations for using K3 cameras in CDS mode for high-resolution and high-throughput single particle cryo-EM.
J.Struct.Biol., 213, 2021
7US2
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BU of 7us2 by Molmil
PARL-cleaved Skd3 (human ClpB) E455Q Nucleotide Binding Domain hexamer bound to ATPgammaS, open conformation
分子名称: Caseinolytic peptidase B protein homolog, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Gupta, A, Lentzsch, A.M, Siegel, A.S, Yu, Z, Lu, C, Chio, U.S, Cheng, Y, Shan, S.-o.
登録日2022-04-22
公開日2023-04-26
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Dodecamer assembly of a metazoan AAA + chaperone couples substrate extraction to refolding.
Sci Adv, 9, 2023
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
分子名称: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-10-30
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
9EOU
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BU of 9eou by Molmil
Crystal Structure of the b1b2 domains from Human Neuropilin-1 in complex with a peptide.
分子名称: Neuropilin-1, Osteopontin
著者Caing-Carlsson, R, Duelli, A, Walse, B.
登録日2024-03-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of an osteopontin-derived peptide that binds neuropilin-1 and activates vascular repair responses and angiogenesis.
Pharmacol Res, 205, 2024
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
著者Chen, Y.Q, Gan, J.H.
登録日2019-07-16
公開日2020-06-03
実験手法X-RAY DIFFRACTION (3.008 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
分子名称: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
7Y1F
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BU of 7y1f by Molmil
Cryo-EM structure of human k-opioid receptor-Gi complex
分子名称: Dynorphin, 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, ...
著者Chen, B.O, Xu, F.E.
登録日2022-06-08
公開日2023-05-24
最終更新日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
分子名称: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
分子名称: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
著者Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
登録日2023-03-06
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
4XGY
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BU of 4xgy by Molmil
GFP based antibody (fluorobody)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3
著者Shi, N, Chen, Y.G, Wang, S.H.
登録日2015-01-03
公開日2015-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
3RSV
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BU of 3rsv by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide
分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
分子名称: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RVI
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BU of 3rvi by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
分子名称: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-06
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTN
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BU of 3rtn by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide
分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RSX
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BU of 3rsx by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
分子名称: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011

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