8I3V
| 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. | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2023-01-18 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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6M11
| Crystal structure of Rnase L in complex with Sunitinib | Descriptor: | 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, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2020-02-24 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation. Biochem.J., 477, 2020
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6M12
| Crystal Structure of Rnase L in complex with SU11652 | Descriptor: | 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, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2020-02-24 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation. Biochem.J., 477, 2020
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2W2G
| Human SARS coronavirus unique domain | Descriptor: | NON-STRUCTURAL PROTEIN 3, SULFATE ION | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R. | Deposit date: | 2008-10-30 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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2WCT
| human SARS coronavirus unique domain (triclinic form) | Descriptor: | NON-STRUCTURAL PROTEIN 3 | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2009-03-16 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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3VXV
| Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-21 | Release date: | 2013-01-16 | Last modified: | 2013-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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6EYW
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8HFE
| Cryo-EM structure of human norepinephrine transporter NET in an inward-open state at resolution of 2.5 angstrom | Descriptor: | CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8HFF
| Cryo-EM structure of human norepinephrine transporter NET in the presence of norepinephrine in an inward-open state at resolution of 2.9 angstrom. | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8HFL
| 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. | Descriptor: | Bupropion, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-11 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8HFI
| 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. | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8HFG
| Cryo-EM structure of human norepinephrine transporter NET in the presence of dopamine in an inward-open state at resolution of 3.0 angstrom. | Descriptor: | CHLORIDE ION, L-DOPAMINE, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8HTD
| Crystal structure of an effector from Chromobacterium violaceum in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTC
| Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTE
| Crystal structure of an effector mutant in complex with ubiquitin | Descriptor: | GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ... | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTF
| Crystal structure of an effector in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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7DSY
| Crystal Structure of RNase L in complex with KM05073 | Descriptor: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-01-03 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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3ZVG
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | Descriptor: | 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 | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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3ZVE
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 | Descriptor: | 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 | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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3ZV9
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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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3ZVC
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82 | Descriptor: | 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 | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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3ZVD
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83 | Descriptor: | 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 | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 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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3ZVB
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 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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3ZV8
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3ZVF
| 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85 | Descriptor: | 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 | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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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