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3J96
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BU of 3j96 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State I)
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J95
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BU of 3j95 by Molmil
Structure of ADP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Vesicle-fusing ATPase
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J94
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BU of 3j94 by Molmil
Structure of ATP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
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
Descriptor: Caseinolytic peptidase B protein homolog, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gupta, A, Lentzsch, A.M, Siegel, A.S, Yu, Z, Lu, C, Chio, U.S, Cheng, Y, Shan, S.-o.
Deposit date:2022-04-22
Release date:2023-04-26
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite: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
Descriptor: (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, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
Descriptor: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite: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)
Descriptor: (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, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-10
Release date:2020-09-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
Descriptor: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-09
Release date:2020-09-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
4XGY
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BU of 4xgy by Molmil
GFP based antibody (fluorobody)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3
Authors:Shi, N, Chen, Y.G, Wang, S.H.
Deposit date:2015-01-03
Release date:2015-07-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
Descriptor: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y, Klein, D.
Deposit date:2023-03-17
Release date:2024-04-24
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
5K8Q
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BU of 5k8q by Molmil
Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.
Descriptor: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
Authors:Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
Deposit date:2016-05-30
Release date:2016-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
4P5U
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BU of 4p5u by Molmil
Crystal structure of TatD
Descriptor: Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-03-20
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
4PE8
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BU of 4pe8 by Molmil
Crystal structure of TatD in complex with trinucleotide DNA
Descriptor: DNA (5'-D(*GP*CP*T)-3'), Tat-linked quality control protein TatD
Authors:Chen, Y, Li, C.-L, Hsiao, Y.-Y, Duh, Y, Yuan, H.S.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Structure and function of TatD exonuclease in DNA repair.
Nucleic Acids Res., 42, 2014
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
Authors:Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
Deposit date:2023-03-06
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
6LLN
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BU of 6lln by Molmil
citronellol catabolism dehydrogenase (AtuB) [Pseudomonas aeruginosa PAO1]
Descriptor: Putative dehydrogenase involved in catabolism of citronellol
Authors:Zhang, Q, Bartlam, M.
Deposit date:2019-12-23
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of the Pseudomonas aeruginosa dehydrogenase AtuB involved in citronellol and geraniol catabolism.
Biochem.Biophys.Res.Commun., 523, 2020
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
Descriptor: (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, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-06
Release date:2011-08-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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

238582

数据于2025-07-09公开中

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