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8I3V
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BU of 8i3v by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom.
分子名称: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2023-01-18
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
6M11
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BU of 6m11 by Molmil
Crystal structure of Rnase L in complex with Sunitinib
分子名称: 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHATE ION, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
6M12
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BU of 6m12 by Molmil
Crystal Structure of Rnase L in complex with SU11652
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, PHOSPHATE ION, Ribonuclease L, ...
著者Tang, J, Huang, H.
登録日2020-02-24
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
2W2G
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BU of 2w2g by Molmil
Human SARS coronavirus unique domain
分子名称: NON-STRUCTURAL PROTEIN 3, SULFATE ION
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R.
登録日2008-10-30
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
2WCT
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BU of 2wct by Molmil
human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
3VXV
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BU of 3vxv by Molmil
Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ...
著者Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
登録日2012-09-21
公開日2013-01-16
最終更新日2013-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
6EYW
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BU of 6eyw by Molmil
Structure of Yeast Myosin 5 Cargo Binding Domain in Trigonal Space Group
分子名称: Myosin-2
著者Tan, J, Khan, A.R.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structure of yeast myosin V cargo binding domain in a new trigonal space group
To Be Published
8HFE
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BU of 8hfe by Molmil
Cryo-EM structure of human norepinephrine transporter NET in an inward-open state at resolution of 2.5 angstrom
分子名称: CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2022-11-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFF
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BU of 8hff by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of norepinephrine in an inward-open state at resolution of 2.9 angstrom.
分子名称: L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2022-11-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFL
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BU of 8hfl by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant bupropion in an inward-open state at resolution of 3.0 angstrom.
分子名称: Bupropion, CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2022-11-11
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFI
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BU of 8hfi by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant desipramine in an inward-open state at resolution of 2.5 angstrom.
分子名称: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2022-11-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFG
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BU of 8hfg by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of dopamine in an inward-open state at resolution of 3.0 angstrom.
分子名称: CHLORIDE ION, L-DOPAMINE, Sodium-dependent noradrenaline transporter
著者Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
登録日2022-11-10
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HTD
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BU of 8htd by Molmil
Crystal structure of an effector from Chromobacterium violaceum in complex with ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTC
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BU of 8htc by Molmil
Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment)
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTE
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BU of 8hte by Molmil
Crystal structure of an effector mutant in complex with ubiquitin
分子名称: GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ...
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
8HTF
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BU of 8htf by Molmil
Crystal structure of an effector in complex with ubiquitin
分子名称: NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment)
著者Tan, J, Wang, X, Zhou, Y, Zhu, Y.
登録日2022-12-21
公開日2023-11-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs.
Nat.Chem.Biol., 20, 2024
7DSY
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BU of 7dsy by Molmil
Crystal Structure of RNase L in complex with KM05073
分子名称: 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ...
著者Tang, J, Huang, H.
登録日2021-01-03
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery
J.Med.Chem., 65, 2022
3ZVG
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BU of 3zvg by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
分子名称: 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVE
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BU of 3zve by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84
分子名称: 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZV9
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BU of 3zv9 by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74
分子名称: 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVC
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BU of 3zvc by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82
分子名称: 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVD
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BU of 3zvd by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83
分子名称: 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVB
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BU of 3zvb by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81
分子名称: 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZV8
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BU of 3zv8 by Molmil
Crystal structure of 3C protease of Enterovirus 68
分子名称: 3C PROTEASE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVF
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BU of 3zvf by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85
分子名称: 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013

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