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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7ZQ9
| Dimeric PSI of Chlamydomonas reinhardtii at 2.74 A resolution (symmetry expanded) | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Naschberger, A, Amunts, A. | Deposit date: | 2022-04-29 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex. Nat.Plants, 8, 2022
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7ZQC
| Monomeric PSI of Chlamydomonas reinhardtii at 2.31 A resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Naschberger, A, Amunts, A. | Deposit date: | 2022-04-29 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex. Nat.Plants, 8, 2022
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7ZQD
| Dimeric PSI of Chlamydomonas reinhardtii at 2.97 A resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Naschberger, A, Amunts, A. | Deposit date: | 2022-04-29 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex. Nat.Plants, 8, 2022
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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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7UGG
| Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2022-03-24 | Release date: | 2022-06-08 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine. Nat Commun, 13, 2022
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5IGJ
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5IGW
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5IGI
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5IGT
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5IGP
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5IGY
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5IH0
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7ZQE
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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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5IWU
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5IGH
| Macrolide 2'-phosphotransferase type I | Descriptor: | Macrolide 2'-phosphotransferase, SULFATE ION | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IGV
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5IGR
| Macrolide 2'-phosphotransferase type I - complex with GDP 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, AMMONIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IH1
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7KXL
| BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXM
| BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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5IGZ
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8AQM
| Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | Descriptor: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8AQN
| Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | Descriptor: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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