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8GJL
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BU of 8gjl by Molmil
multi-drug efflux pump RE-CmeB bound with Ciprofloxacin
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, Efflux pump membrane transporter
著者Zhang, Z.
登録日2023-03-16
公開日2023-05-31
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
8GJJ
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BU of 8gjj by Molmil
Multi-drug efflux pump RE-CmeB Apo form
分子名称: Efflux pump membrane transporter
著者Zhang, Z.
登録日2023-03-15
公開日2023-05-31
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
4NNI
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BU of 4nni by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
8GK4
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BU of 8gk4 by Molmil
Multi-drug efflux pump RE-CmeB bound with Chloramphenicol
分子名称: CHLORAMPHENICOL, Efflux pump membrane transporter
著者Zhang, Z.
登録日2023-03-17
公開日2023-05-31
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
8GK0
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BU of 8gk0 by Molmil
Multi-drug efflux pump RE-CmeB bound with Erythromycin
分子名称: ERYTHROMYCIN A, Efflux pump membrane transporter
著者Zhang, Z.
登録日2023-03-16
公開日2023-06-07
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-Electron Microscopy Structures of a Campylobacter Multidrug Efflux Pump Reveal a Novel Mechanism of Drug Recognition and Resistance.
Microbiol Spectr, 11, 2023
4NNK
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BU of 4nnk by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
3QU8
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BU of 3qu8 by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine.
分子名称: 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2011-02-23
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
4NNH
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BU of 4nnh by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
7V50
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BU of 7v50 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
著者Wu, Y, Yu, H.
登録日2021-08-16
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V4X
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BU of 7v4x by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
著者Wu, Y, Yu, H.
登録日2021-08-15
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V51
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BU of 7v51 by Molmil
BVMO_negative mutant D432V
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
著者Wu, Y, Yu, H.-L.
登録日2021-08-16
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
分子名称: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
著者Konuma, T, Zhou, M.-M.
登録日2023-01-26
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
3QOA
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BU of 3qoa by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine.
分子名称: 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2011-02-09
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
7JUN
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BU of 7jun by Molmil
Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature
分子名称: 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2020-08-20
公開日2020-09-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.
J.Biol.Chem., 295, 2020
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-02-27
公開日2024-01-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
7CZ6
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BU of 7cz6 by Molmil
Protrusion structure of Omono River virus
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-07
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
7D0L
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BU of 7d0l by Molmil
The major capsid of Omono River virus (strain:LZ), protrusion-free status.
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-11
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
7D0K
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BU of 7d0k by Molmil
The icosahedral capsid of Omono River virus (strain:LZ)
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-11
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-11-15
公開日2024-01-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
3UAS
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BU of 3uas by Molmil
Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F.
登録日2011-10-21
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.939 Å)
主引用文献Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
4NNG
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BU of 4nng by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
分子名称: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Wang, Q, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
3HGG
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BU of 3hgg by Molmil
Crystal Structure of CmeR Bound to Cholic Acid
分子名称: CHOLIC ACID, CmeR
著者Routh, M.D, Yang, F.
登録日2009-05-13
公開日2010-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for anionic ligand recognition by multidrug binding proteins: Crystal structures of CmeR-bile acid complexes
To be Published
7VS4
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BU of 7vs4 by Molmil
Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
7VRU
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BU of 7vru by Molmil
Crystal structure of PacII_M1M2S-DNA-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022

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件を2024-10-30に公開中

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