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8SCB
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BU of 8scb by Molmil
Terminating ribosome with SRI-41315
分子名称: (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione, 18S_rRNA, 28S_rRNA, ...
著者Yip, M.C.J, Coelho, J.P.L, Oltion, K, Tauton, J, Shao, S.
登録日2023-04-05
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structure and consequences of eRF1 glued to the ribosomal decoding center
To Be Published
5U8L
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BU of 5u8l by Molmil
Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44
分子名称: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.
登録日2016-12-14
公開日2017-01-25
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
7ZL3
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BU of 7zl3 by Molmil
Signal peptide mimicry primes Sec61 for client-selective inhibition
分子名称: Cyclic depsipeptide signal peptide mimic, Protein transport protein Sec61 subunit alpha, Protein transport protein Sec61 subunit beta, ...
著者Rehan, S, Paavilainen O, V.
登録日2022-04-13
公開日2023-03-22
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Signal peptide mimicry primes Sec61 for client-selective inhibition.
Nat.Chem.Biol., 19, 2023
8DIB
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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
8DII
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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
8DIH
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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
3QBV
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BU of 3qbv by Molmil
Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1
著者Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T.
登録日2011-01-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Proc.Natl.Acad.Sci.USA, 109, 2012
8DIF
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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
8DIG
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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
8DIC
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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
8DIE
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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
8DID
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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
8G61
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BU of 8g61 by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G60
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BU of 8g60 by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G5Z
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BU of 8g5z by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8GLP
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BU of 8glp by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (Consensus LSU focused refined structure)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Watson, Z.L, Altman, R.B, Blanchard, S.C.
登録日2023-03-22
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.67 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G6J
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BU of 8g6j by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state 2)
分子名称: (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone, (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 1,4-DIAMINOBUTANE, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-15
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G5Y
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BU of 8g5y by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (IC state)
分子名称: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
著者Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
分子名称: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV1
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BU of 4lv1 by Molmil
AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
分子名称: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
分子名称: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
著者London, N, Eidam, O, Shoichet, B.K.
登録日2013-07-25
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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