5IGJ
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7RAU
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![BU of 7rau by Molmil](/molmil-images/mine/7rau) | Structure of TRPV3 in complex with osthole | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Transient receptor potential cation channel subfamily V member 3 | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-07-02 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the plant-derived coumarin osthole. Embo Rep., 22, 2021
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5IGW
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7R60
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![BU of 7r60 by Molmil](/molmil-images/mine/7r60) | BTK in complex with 18A | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2021-06-22 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity. Chemmedchem, 16, 2021
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7R61
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![BU of 7r61 by Molmil](/molmil-images/mine/7r61) | BTK in complex with 25A | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2021-06-22 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity. Chemmedchem, 16, 2021
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5IGI
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5IGT
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![BU of 5igt by Molmil](/molmil-images/mine/5igt) | |
5IGP
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7S89
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![BU of 7s89 by Molmil](/molmil-images/mine/7s89) | Open apo-state cryo-EM structure of human TRPV6 in cNW11 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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7S8C
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![BU of 7s8c by Molmil](/molmil-images/mine/7s8c) | Cryo-EM structure of human TRPV6 in complex with inhibitor econazole | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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7S88
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![BU of 7s88 by Molmil](/molmil-images/mine/7s88) | Open apo-state cryo-EM structure of human TRPV6 in glyco-diosgenin detergent | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-09-17 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural mechanisms of TRPV6 inhibition by ruthenium red and econazole. Nat Commun, 12, 2021
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5IGY
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5IGS
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![BU of 5igs by Molmil](/molmil-images/mine/5igs) | Macrolide 2'-phosphotransferase type I - complex with guanosine and oleandomycin | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, GUANOSINE, ISOPROPYL ALCOHOL, ... | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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7MIJ
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![BU of 7mij by Molmil](/molmil-images/mine/7mij) | Mouse TRPV3 in MSP2N2 nanodiscs, closed state at 4 degrees Celsius | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-04-17 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (1.98 Å) | Cite: | Structural mechanism of heat-induced opening of a temperature-sensitive TRP channel. Nat.Struct.Mol.Biol., 28, 2021
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7MIM
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![BU of 7mim by Molmil](/molmil-images/mine/7mim) | Mouse TRPV3 in cNW11 nanodiscs, closed state at 4 degrees Celsius | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-04-17 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Structural mechanism of heat-induced opening of a temperature-sensitive TRP channel. Nat.Struct.Mol.Biol., 28, 2021
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6V8K
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5IH0
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7LQZ
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![BU of 7lqz by Molmil](/molmil-images/mine/7lqz) | Structure of squirrel TRPV1 in complex with RTX | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Osm-9-like TRP channel 1, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-02-15 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism. Nat Commun, 12, 2021
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/6di9) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-23 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6DI5
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![BU of 6di5 by Molmil](/molmil-images/mine/6di5) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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5IGZ
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6V90
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5IWU
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8SP8
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![BU of 8sp8 by Molmil](/molmil-images/mine/8sp8) | Human TRP channel TRPV6 in cNW30 nanodiscs inhibited by tetrahydrocannabivarin (THCV) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHLORIDE ION, ... | Authors: | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-05-02 | Release date: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular pathway and structural mechanism of human oncochannel TRPV6 inhibition by the phytocannabinoid tetrahydrocannabivarin. Nat Commun, 14, 2023
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6V8N
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