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1N0O
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BU of 1n0o by Molmil
NMR Structure of d(CCAAGGXCTTGGG), X is a 3'-phosphoglycolate, 5'-phosphate gapped lesion, 10 structures
分子名称: 2-PHOSPHOGLYCOLIC ACID, 5'-D(*CP*CP*AP*AP*GP*G)-3', 5'-D(*CP*CP*CP*AP*AP*GP*GP*CP*CP*TP*TP*GP*G)-3', ...
著者Junker, H.-D, Hoehn, S.T, Bunt, R.C, Marathius, V, Chen, J, Turner, C.J, Stubbe, J.
登録日2002-10-14
公開日2003-01-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Synthesis, Characterization, and Solution Structure of Tethered Oligonucleotides Containing an Internal 3'-Phosphoglycolate, 5'-Phosphate Gapped Lesion
Nucleic Acids Res., 30, 2002
1N0K
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BU of 1n0k by Molmil
NMR Structure of duplex DNA d(CCAAGGXCTTGGG), X is a 3' phosphoglycolate, 5'phosphate gapped lesion
分子名称: 2-PHOSPHOGLYCOLIC ACID, 5'-D(*CP*CP*AP*AP*GP*G)-3', 5'-D(*CP*CP*CP*AP*AP*GP*GP*CP*CP*TP*TP*GP*G)-3', ...
著者Junker, H.-D, Hoehn, S.T, Bunt, R.C, Marathius, V, Chen, J, Turner, C.J, Stubbe, J.
登録日2002-10-14
公開日2003-01-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Synthesis, Characterization and Solution Structure of Tethered Oligonucleotides Containing an Internal 3'-Phosphoglycolate, 5'-Phosphate Gapped Lesion
Nucleic Acids Res., 30, 2002
4R29
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BU of 4r29 by Molmil
Crystal structure of bacterial cysteine methyltransferase effector NleE
分子名称: CITRIC ACID, GLYCEROL, S-ADENOSYLMETHIONINE, ...
著者Yao, Q, Chen, J, Hu, L, Zhang, L, Shao, F.
登録日2014-08-11
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structure and Specificity of the Bacterial Cysteine Methyltransferase Effector NleE Suggests a Novel Substrate in Human DNA Repair Pathway.
Plos Pathog., 10, 2014
4X64
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BU of 4x64 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X65
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BU of 4x65 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.345 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X62
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BU of 4x62 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.4492 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
7WC5
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BU of 7wc5 by Molmil
Crystal structure of serotonin 2A receptor in complex with psilocin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC6
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BU of 7wc6 by Molmil
Crystal structure of serotonin 2A receptor in complex with LSD
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC8
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BU of 7wc8 by Molmil
Crystal structure of serotonin 2A receptor in complex with lumateperone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC9
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BU of 7wc9 by Molmil
Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog
分子名称: (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC7
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BU of 7wc7 by Molmil
Crystal structure of serotonin 2A receptor in complex with lisuride
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
7WC4
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BU of 7wc4 by Molmil
Crystal structure of serotonin 2A receptor in complex with serotonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ...
著者Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S.
登録日2021-12-18
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
6UY0
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BU of 6uy0 by Molmil
Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Johnson, Z.L, Chen, J.
登録日2019-11-09
公開日2020-06-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Characterization of the kinetic cycle of an ABC transporter by single-molecule and cryo-EM analyses.
Elife, 9, 2020
8EJ1
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BU of 8ej1 by Molmil
Dephosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR)
分子名称: Cystic fibrosis transmembrane conductance regulator
著者Fiedorczuk, K, Chen, J.
登録日2022-09-16
公開日2022-10-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
8EIQ
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BU of 8eiq by Molmil
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg
分子名称: (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Fiedorczuk, K, Chen, J.
登録日2022-09-15
公開日2022-10-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
8EIG
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BU of 8eig by Molmil
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg
分子名称: (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Fiedorczuk, K, Chen, J.
登録日2022-09-15
公開日2022-10-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
8EIO
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BU of 8eio by Molmil
The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg
分子名称: (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Fiedorczuk, K, Chen, J.
登録日2022-09-15
公開日2022-10-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
6VVZ
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BU of 6vvz by Molmil
Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin
分子名称: DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VVY
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BU of 6vvy by Molmil
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
8F4B
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BU of 8f4b by Molmil
Bovine multidrug resistance protein 1 (MRP1) bound to cyclic peptide inhibitor 1 (CPI1)
分子名称: Cyclic peptide inhibitor 1 (CPI1), Multidrug resistance-associated protein 1
著者Pietz, H.L, Chen, J.
登録日2022-11-10
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献A macrocyclic peptide inhibitor traps MRP1 in a catalytically incompetent conformation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F0Q
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BU of 8f0q by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
8F0S
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BU of 8f0s by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
8F0P
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BU of 8f0p by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
8F0R
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BU of 8f0r by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
6VW0
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BU of 6vw0 by Molmil
Mycobacterium tuberculosis RNAP S456L mutant open promoter complex
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020

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