Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7TXT
DownloadVisualize
BU of 7txt by Molmil
Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl
分子名称: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ...
著者Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G.
登録日2022-02-09
公開日2023-03-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
5VBS
DownloadVisualize
BU of 5vbs by Molmil
Structural basis for a six letter alphabet including GATCKX
分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*(DX)P*(DX)P*T)-3'), DNA (5'-D(P*AP*(93D)P*(93D)P*AP*TP*AP*AP*G)-3'), reverse transcriptase catalytic fragment
著者Singh, I, Georgiadis, M.M.
登録日2017-03-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K).
ACS Synth Biol, 6, 2017
5W6Q
DownloadVisualize
BU of 5w6q by Molmil
Structural basis for recognition of artificial DNA by an evolved KlenTaq variant
分子名称: DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(1W5))-3'), DNA (5'-D(P*GP*(1WA)P*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA polymerase I, ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
5W6K
DownloadVisualize
BU of 5w6k by Molmil
Structure of mutant Taq Polymerase incorporating unnatural base pairs Z:P
分子名称: (1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA (5'-D(P*(1WA)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
4M94
DownloadVisualize
BU of 4m94 by Molmil
d(ATCCGTTATAACGGAT) complexed with Moloney Murine Leukemia virus reverse transcriptase catalytic fragment
分子名称: 1,2-ETHANEDIOL, 5' d(ATCCGttA) 3', 5' d(TAACGGAT) 3', ...
著者Singh, I.
登録日2013-08-14
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The structure of an authentic spore photoproduct lesion in DNA suggests a basis for recognition.
Acta Crystallogr.,Sect.D, 70, 2014
4M95
DownloadVisualize
BU of 4m95 by Molmil
d(ATCCGTTATAACGGAT)complexed with Moloney Murine Leukemia virus reverse transcriptase catalytic fragment
分子名称: 1,2-ETHANEDIOL, 5' d(ATCCGTTA) 3', 5' d(TAACGGAT) 3', ...
著者Singh, I.
登録日2013-08-14
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The structure of an authentic spore photoproduct lesion in DNA suggests a basis for recognition.
Acta Crystallogr.,Sect.D, 70, 2014
6LTQ
DownloadVisualize
BU of 6ltq by Molmil
Crystal structure of pyrrolidone carboxyl peptidase from thermophilic keratin degrading bacterium Fervidobacterium islandicum AW-1 (FiPcp)
分子名称: GLYCEROL, PENTAETHYLENE GLYCOL, Pyroglutamyl-peptidase I
著者Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H.
登録日2020-01-23
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of oxidized pyrrolidone carboxypeptidase from Fervidobacterium islandicum AW-1 reveals unique structural features for thermostability and keratinolysis.
Biochem.Biophys.Res.Commun., 540, 2021
7D2N
DownloadVisualize
BU of 7d2n by Molmil
Crystal structure of MazE-MazF (Form-III) from Deinococcus radiodurans
分子名称: AbrB/MazE/SpoVT family DNA-binding domain-containing protein, Endoribonuclease MazF
著者Dhanasingh, I, Lee, S.H.
登録日2020-09-17
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and structural characterization of Deinococcus radiodurans R1 MazEF toxin-antitoxin system, Dr0416-Dr0417.
J.Microbiol, 59, 2021
7D2M
DownloadVisualize
BU of 7d2m by Molmil
Crystal structure of MazF (Form-II) from Deinococcus radiodurans
分子名称: Endoribonuclease MazF, SULFATE ION, TRIPHOSPHATE
著者Dhanasingh, I, Lee, S.H.
登録日2020-09-17
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Functional and structural characterization of Deinococcus radiodurans R1 MazEF toxin-antitoxin system, Dr0416-Dr0417.
J.Microbiol, 59, 2021
7D28
DownloadVisualize
BU of 7d28 by Molmil
Crystal structure of MazF (Form-I) from Deinococcus radiodurans
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endoribonuclease MazF, GLYCEROL
著者Dhanasingh, I, Lee, S.H.
登録日2020-09-16
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional and structural characterization of Deinococcus radiodurans R1 MazEF toxin-antitoxin system, Dr0416-Dr0417.
J.Microbiol, 59, 2021
7D2Q
DownloadVisualize
BU of 7d2q by Molmil
Crystal structure of MazE-MazF (Form-I) from Deinococcus radiodurans
分子名称: AbrB/MazE/SpoVT family DNA-binding domain-containing protein, Endoribonuclease MazF
著者Dhanasingh, I, Lee, S.H.
登録日2020-09-17
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Functional and structural characterization of Deinococcus radiodurans R1 MazEF toxin-antitoxin system, Dr0416-Dr0417.
J.Microbiol, 59, 2021
7D2P
DownloadVisualize
BU of 7d2p by Molmil
Crystal structure of MazE-MazF (Form-II) from Deinococcus radiodurans
分子名称: AbrB/MazE/SpoVT family DNA-binding domain-containing protein, Endoribonuclease MazF
著者Dhanasingh, I, Lee, S.H.
登録日2020-09-17
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Functional and structural characterization of Deinococcus radiodurans R1 MazEF toxin-antitoxin system, Dr0416-Dr0417.
J.Microbiol, 59, 2021
6DPX
DownloadVisualize
BU of 6dpx by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPZ
DownloadVisualize
BU of 6dpz by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPT
DownloadVisualize
BU of 6dpt by Molmil
X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor
分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
8DIC
DownloadVisualize
BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
DownloadVisualize
BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
DownloadVisualize
BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
DownloadVisualize
BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DII
DownloadVisualize
BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIE
DownloadVisualize
BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
DownloadVisualize
BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DID
DownloadVisualize
BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
6DPY
DownloadVisualize
BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6B1R
DownloadVisualize
BU of 6b1r by Molmil
Hydrogen Bonding Complementary, not size complementarity is key in the formation of the double helix
分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(1WA))-3'), DNA (5'-D(P*(IGU)P*(IGU)P*(IGU)P*AP*TP*AP*AP*G)-3'), Reverse transcriptase
著者Singh, I, Georgiadis, M.M.
登録日2017-09-18
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献"Skinny" and "Fat" DNA: Two New Double Helices.
J. Am. Chem. Soc., 140, 2018

 

123>

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon