1YRS
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![BU of 1yrs by Molmil](/molmil-images/mine/1yrs) | Crystal structure of KSP in complex with inhibitor 1 | Descriptor: | 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Cox, C.D, Breslin, M.J, Mariano, B.J, Coleman, P.J, Buser, C.A, Walsh, E.S, Hamilton, K, Kohl, N.E, Torrent, M, Yan, Y, Kuo, L.C, Hartman, G.D. | Deposit date: | 2005-02-04 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP BIOORG.MED.CHEM.LETT., 15, 2005
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8IMZ
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![BU of 8imz by Molmil](/molmil-images/mine/8imz) | Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map) | Descriptor: | MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1 | Authors: | Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D. | Deposit date: | 2023-03-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels. Science, 381, 2023
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6VYM
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![BU of 6vym by Molmil](/molmil-images/mine/6vym) | Cryo-EM structure of mechanosensitive channel MscS in PC-18:1 nanodiscs treated with beta-cyclodextran | Descriptor: | Mechanosensitive channel MscS | Authors: | Zhang, Y, Daday, C, Gu, R, Cox, C.D, Martinac, B, Groot, B, Walz, T. | Deposit date: | 2020-02-27 | Release date: | 2021-02-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Visualization of the mechanosensitive ion channel MscS under membrane tension. Nature, 590, 2021
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6VYK
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![BU of 6vyk by Molmil](/molmil-images/mine/6vyk) | Cryo-EM structure of mechanosensitive channel MscS in PC-18:1 nanodiscs | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mechanosensitive channel MscS | Authors: | Zhang, Y, Daday, C, Gu, R, Cox, C.D, Martinac, B, Groot, B, Walz, T. | Deposit date: | 2020-02-27 | Release date: | 2021-02-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Visualization of the mechanosensitive ion channel MscS under membrane tension. Nature, 590, 2021
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6VYL
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![BU of 6vyl by Molmil](/molmil-images/mine/6vyl) | Cryo-EM structure of mechanosensitive channel MscS in PC-10 nanodiscs | Descriptor: | Mechanosensitive channel MscS | Authors: | Zhang, Y, Daday, C, Gu, R, Cox, C.D, Martinac, B, Groot, B, Walz, T. | Deposit date: | 2020-02-27 | Release date: | 2021-02-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Visualization of the mechanosensitive ion channel MscS under membrane tension. Nature, 590, 2021
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3CJO
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![BU of 3cjo by Molmil](/molmil-images/mine/3cjo) | Crystal structure of KSP in complex with inhibitor 30 | Descriptor: | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2008-03-13 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer. J.Med.Chem., 51, 2008
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2G1Q
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![BU of 2g1q by Molmil](/molmil-images/mine/2g1q) | crystal structure of KSP in complex with inhibitor 9h | Descriptor: | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2006-02-14 | Release date: | 2006-10-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 16, 2006
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4ZO5
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![BU of 4zo5 by Molmil](/molmil-images/mine/4zo5) | PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | Descriptor: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-05-06 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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8DI4
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![BU of 8di4 by Molmil](/molmil-images/mine/8di4) | Discovery of MK-8189, a highly potent and selective PDE10A inhibitor for the treatment of schizophrenia | Descriptor: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Hayes, R.P, Yan, Y. | Deposit date: | 2022-06-28 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J.Med.Chem., 66, 2023
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8GRS
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![BU of 8grs by Molmil](/molmil-images/mine/8grs) | human TMEM63A | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CSC1-like protein 1 | Authors: | Zhang, M.F. | Deposit date: | 2022-09-02 | Release date: | 2023-06-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity. Nat Commun, 14, 2023
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8GRN
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![BU of 8grn by Molmil](/molmil-images/mine/8grn) | AtOSCA1.1 extended state | Descriptor: | Protein OSCA1, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE | Authors: | Zhang, M.F. | Deposit date: | 2022-09-02 | Release date: | 2023-06-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity. Nat Commun, 14, 2023
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8GSO
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![BU of 8gso by Molmil](/molmil-images/mine/8gso) | AtOSCA3.1 channel extended state | Descriptor: | CSC1-like protein ERD4 | Authors: | Zhang, M.F. | Deposit date: | 2022-09-06 | Release date: | 2023-06-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity. Nat Commun, 14, 2023
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8GRO
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![BU of 8gro by Molmil](/molmil-images/mine/8gro) | AtOSCA3.1 contracted state | Descriptor: | CSC1-like protein ERD4 | Authors: | Zhang, M.F. | Deposit date: | 2022-09-02 | Release date: | 2023-06-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity. Nat Commun, 14, 2023
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8XNG
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![BU of 8xng by Molmil](/molmil-images/mine/8xng) | |
8XS4
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![BU of 8xs4 by Molmil](/molmil-images/mine/8xs4) | |
8XW3
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![BU of 8xw3 by Molmil](/molmil-images/mine/8xw3) | |
8XW1
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![BU of 8xw1 by Molmil](/molmil-images/mine/8xw1) | Cryo-EM structure of OSCA1.2-V335W-DDM state | Descriptor: | Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.49 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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8XVY
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![BU of 8xvy by Molmil](/molmil-images/mine/8xvy) | |
8XW2
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![BU of 8xw2 by Molmil](/molmil-images/mine/8xw2) | |
8XS5
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![BU of 8xs5 by Molmil](/molmil-images/mine/8xs5) | |
8XRY
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![BU of 8xry by Molmil](/molmil-images/mine/8xry) | |
8XW0
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![BU of 8xw0 by Molmil](/molmil-images/mine/8xw0) | Cryo-EM structure of OSCA3.1-GDN state | Descriptor: | CSC1-like protein ERD4, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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8XVZ
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![BU of 8xvz by Molmil](/molmil-images/mine/8xvz) | |
8XW4
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![BU of 8xw4 by Molmil](/molmil-images/mine/8xw4) | Cryo-EM structure of TMEM63B-Digitonin state | Descriptor: | CSC1-like protein 2 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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8XAJ
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![BU of 8xaj by Molmil](/molmil-images/mine/8xaj) | Cryo-EM structure of OSCA1.2-liposome-inside-in open state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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