6M2W
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![BU of 6m2w by Molmil](/molmil-images/mine/6m2w) | Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-03-01 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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7CF9
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![BU of 7cf9 by Molmil](/molmil-images/mine/7cf9) | Structure of RyR1 (Ca2+/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-06-24 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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6ADG
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![BU of 6adg by Molmil](/molmil-images/mine/6adg) | Crystal Structures of IDH1 R132H in complex with AG-881 | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | Authors: | Ma, R, Yun, C.H. | Deposit date: | 2018-08-01 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2 Biochem. Biophys. Res. Commun., 503, 2018
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6ADI
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![BU of 6adi by Molmil](/molmil-images/mine/6adi) | Crystal Structures of IDH2 R140Q in complex with AG-881 | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Ma, R, Yun, C.H. | Deposit date: | 2018-08-01 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2 Biochem. Biophys. Res. Commun., 503, 2018
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5GYY
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![BU of 5gyy by Molmil](/molmil-images/mine/5gyy) | Plant receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S-locus protein 11, S-receptor kinase SRK9 | Authors: | Ma, R, Han, Z, Hu, Z, Lin, G, Gong, X, Zhang, H, June, N, Chai, J. | Deposit date: | 2016-09-24 | Release date: | 2017-09-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Plant receptor complex at 2.35 Angstroms resolution To Be Published
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7JGH
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![BU of 7jgh by Molmil](/molmil-images/mine/7jgh) | Cryo-EM structure of P. falciparum VAR2CSA NF54 core in complex with CSA at 3.36 A | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, Erythrocyte membrane protein 1, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid | Authors: | Ma, R, Tolia, N.H. | Deposit date: | 2020-07-19 | Release date: | 2021-01-13 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis for placental malaria mediated by Plasmodium falciparum VAR2CSA. Nat Microbiol, 6, 2021
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7JGD
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![BU of 7jgd by Molmil](/molmil-images/mine/7jgd) | |
7JGG
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![BU of 7jgg by Molmil](/molmil-images/mine/7jgg) | |
7JGF
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![BU of 7jgf by Molmil](/molmil-images/mine/7jgf) | |
7JGE
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![BU of 7jge by Molmil](/molmil-images/mine/7jge) | |
6J6L
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![BU of 6j6l by Molmil](/molmil-images/mine/6j6l) | |
7F9I
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![BU of 7f9i by Molmil](/molmil-images/mine/7f9i) | The apo-form structure of EnrR | Descriptor: | EnrR repressor | Authors: | Gan, J.H, Wang, Q.Y. | Deposit date: | 2021-07-04 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding. Nucleic Acids Res., 50, 2022
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7F9H
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![BU of 7f9h by Molmil](/molmil-images/mine/7f9h) | complex structure of EnrR-DNA | Descriptor: | EnrR repressor, target DNA | Authors: | Gan, J.H, Wang, Q.Y. | Deposit date: | 2021-07-04 | Release date: | 2022-05-11 | Last modified: | 2022-05-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding. Nucleic Acids Res., 50, 2022
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8I30
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![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2023-01-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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4KXF
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5X2A
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![BU of 5x2a by Molmil](/molmil-images/mine/5x2a) | |
5X26
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![BU of 5x26 by Molmil](/molmil-images/mine/5x26) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | Authors: | Yun, C.H. | Deposit date: | 2017-01-31 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X2K
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![BU of 5x2k by Molmil](/molmil-images/mine/5x2k) | Crystal structure of EGFR 696-1022 T790M in complex with WZ4003 | Descriptor: | Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Zhu, S.J, Zhao, P, Yun, C.H. | Deposit date: | 2017-02-01 | Release date: | 2018-02-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5H1U
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![BU of 5h1u by Molmil](/molmil-images/mine/5h1u) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 | Descriptor: | 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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5XGM
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![BU of 5xgm by Molmil](/molmil-images/mine/5xgm) | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | Descriptor: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2017-04-14 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
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5H1T
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![BU of 5h1t by Molmil](/molmil-images/mine/5h1t) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | Descriptor: | DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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5H1D
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![BU of 5h1d by Molmil](/molmil-images/mine/5h1d) | Crystal structure of C-terminal of RhoGDI2 | Descriptor: | Rho GDP-dissociation inhibitor 2 | Authors: | Liu, J. | Deposit date: | 2016-10-08 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | NMR characterization of weak interactions between RhoGDI2 and fragment screening hits. Biochim. Biophys. Acta, 1861, 2017
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5XGN
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![BU of 5xgn by Molmil](/molmil-images/mine/5xgn) | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | Descriptor: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2017-04-14 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
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