8ER6
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![BU of 8er6 by Molmil](/molmil-images/mine/8er6) | FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER7
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![BU of 8er7 by Molmil](/molmil-images/mine/8er7) | FKBP12-FRB in Complex with Compound 12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8K9X
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![BU of 8k9x by Molmil](/molmil-images/mine/8k9x) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5) | Descriptor: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9V
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![BU of 8k9v by Molmil](/molmil-images/mine/8k9v) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3) | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9S
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![BU of 8k9s by Molmil](/molmil-images/mine/8k9s) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9U
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![BU of 8k9u by Molmil](/molmil-images/mine/8k9u) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9W
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![BU of 8k9w by Molmil](/molmil-images/mine/8k9w) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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7DCC
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![BU of 7dcc by Molmil](/molmil-images/mine/7dcc) | |
7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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6JIV
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![BU of 6jiv by Molmil](/molmil-images/mine/6jiv) | SspE crystal structure | Descriptor: | SspE protein | Authors: | Bing, Y.Z, Yang, H.G. | Deposit date: | 2019-02-23 | Release date: | 2020-03-25 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities. Nat Microbiol, 5, 2020
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8D1I
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![BU of 8d1i by Molmil](/molmil-images/mine/8d1i) | hBest1 1uM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.82 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1K
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![BU of 8d1k by Molmil](/molmil-images/mine/8d1k) | hBest1 Ca2+-bound partially open neck state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.28 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1G
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![BU of 8d1g by Molmil](/molmil-images/mine/8d1g) | hBest2 Ca2+-bound open state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.07 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1O
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![BU of 8d1o by Molmil](/molmil-images/mine/8d1o) | hBest1_345 Ca2+-bound open state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1F
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![BU of 8d1f by Molmil](/molmil-images/mine/8d1f) | hBest2 5mM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.82 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1N
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![BU of 8d1n by Molmil](/molmil-images/mine/8d1n) | bBest2_345 Ca2+-bound open state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.93 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8ETN
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![BU of 8etn by Molmil](/molmil-images/mine/8etn) | |
8D1E
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![BU of 8d1e by Molmil](/molmil-images/mine/8d1e) | hBest2 1uM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.78 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1L
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![BU of 8d1l by Molmil](/molmil-images/mine/8d1l) | hBest1 Ca2+-bound partially open aperture state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.12 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1J
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![BU of 8d1j by Molmil](/molmil-images/mine/8d1j) | hBest1 5mM Ca2+ (Ca2+-bound) closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.05 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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8D1M
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![BU of 8d1m by Molmil](/molmil-images/mine/8d1m) | |
8D1H
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![BU of 8d1h by Molmil](/molmil-images/mine/8d1h) | hBest2 Ca2+-unbound closed state | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ... | Authors: | Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y. | Deposit date: | 2022-05-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (1.94 Å) | Cite: | Structures and gating mechanisms of human bestrophin anion channels. Nat Commun, 13, 2022
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7E3O
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![BU of 7e3o by Molmil](/molmil-images/mine/7e3o) | |
7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | Deposit date: | 2021-08-05 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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