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4RAX
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BU of 4rax by Molmil
A regulatory domain of an ion channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Ge, J, Yang, M.
登録日2014-09-11
公開日2015-09-23
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
3UQ8
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BU of 3uq8 by Molmil
Structure of adenylation domain of Haemophilus influenzae DNA ligases bound to NAD+ in adenylated state.
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lahiri, S.D.
登録日2011-11-19
公開日2012-01-25
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure Guided Understanding of NAD(+) Recognition in Bacterial DNA Ligases.
Acs Chem.Biol., 7, 2012
5XLP
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BU of 5xlp by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 20nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 20nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
5XLO
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BU of 5xlo by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 32nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 32nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
7BP3
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BU of 7bp3 by Molmil
Cryo-EM structure of the human MCT2
分子名称: Monocarboxylate transporter 2
著者Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S.
登録日2020-03-21
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cooperative transport mechanism of human monocarboxylate transporter 2.
Nat Commun, 11, 2020
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
6B3E
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BU of 6b3e by Molmil
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ...
著者Ferguson, A.D.
登録日2017-09-21
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
5ID6
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BU of 5id6 by Molmil
Structure of Cpf1/RNA Complex
分子名称: Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3')
著者Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z.
登録日2016-02-24
公開日2016-04-27
最終更新日2016-05-11
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献The crystal structure of Cpf1 in complex with CRISPR RNA
Nature, 532, 2016
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
7BT6
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BU of 7bt6 by Molmil
Cryo-EM structure of pre-60S ribosome from Saccharomyces cerevisiae rpl4delta63-87 strain at 3.12 Angstroms resolution(state R1)
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Li, Y, Wilson, D.M.
登録日2020-03-31
公開日2020-10-28
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural insights into assembly of the ribosomal nascent polypeptide exit tunnel.
Nat Commun, 11, 2020
7BTB
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BU of 7btb by Molmil
Cryo-EM structure of pre-60S ribosome from Saccharomyces cerevisiae rpl4delta63-87 strain at 3.22 Angstroms resolution(state R2)
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Li, Y, Wilson, D.M.
登録日2020-04-01
公開日2020-10-28
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structural insights into assembly of the ribosomal nascent polypeptide exit tunnel.
Nat Commun, 11, 2020
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
著者Zhu, Q, Wang, G, Xiao, J.
登録日2020-04-24
公開日2020-06-10
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
分子名称: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3U2K
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BU of 3u2k by Molmil
S. aureus GyrB ATPase domain in complex with a small molecule inhibitor
分子名称: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
5GPN
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BU of 5gpn by Molmil
Architecture of mammalian respirasome
分子名称: Acyl carrier protein, COPPER (II) ION, Cytochrome b, ...
著者Gu, J, Wu, M, Guo, R, Yang, M.
登録日2016-08-03
公開日2017-04-05
最終更新日2017-04-12
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献The architecture of the mammalian respirasome.
Nature, 537, 2016
6IUF
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BU of 6iuf by Molmil
Crystal structure of Anti-CRISPR protein AcrVA5
分子名称: ACETYL COENZYME *A, GLYCEROL, protein-a
著者Dong, L, Guan, X, Zhu, Y, Huang, Z.
登録日2018-11-28
公開日2019-04-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4HQM
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BU of 4hqm by Molmil
The crystal structure of QsrR-menadione complex
分子名称: 2-methylnaphthalene-1,4-diol, QsrR protein
著者Ji, Q, Zhang, L, Jones, M.B, Sun, F, Deng, X, Liang, H, Brugarolas, P, Gao, N, Peterson, S.N, Lan, L, Bae, T, He, C.
登録日2012-10-25
公開日2013-03-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013

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