6LAW
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6A68
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![BU of 6a68 by Molmil](/molmil-images/mine/6a68) | the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain | Descriptor: | Calcium-dependent secretion activator 1, POTASSIUM ION | Authors: | Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C. | Deposit date: | 2018-06-26 | Release date: | 2019-03-13 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis. Cell Rep, 26, 2019
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7VS3
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![BU of 7vs3 by Molmil](/molmil-images/mine/7vs3) | The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH | Descriptor: | Calcium-dependent secretion activator 1, SULFATE ION | Authors: | Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C. | Deposit date: | 2021-10-25 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis. Structure, 31, 2023
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4XEO
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3CYV
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6DXK
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![BU of 6dxk by Molmil](/molmil-images/mine/6dxk) | Glucocorticoid Receptor in complex with Compound 11 | Descriptor: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | Authors: | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | Deposit date: | 2018-06-29 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J. Med. Chem., 61, 2018
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7DQZ
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![BU of 7dqz by Molmil](/molmil-images/mine/7dqz) | Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7DMC
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![BU of 7dmc by Molmil](/molmil-images/mine/7dmc) | Dipyridamole binds to the N-terminal domain of human Hsp90A | Descriptor: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | Authors: | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | Deposit date: | 2020-12-03 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines. Biochem Pharmacol, 207, 2022
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7DR8
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![BU of 7dr8 by Molmil](/molmil-images/mine/7dr8) | Crystal structure of MERS-CoV 3CL protease in spacegroup P212121 | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-26 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.338149 Å) | Cite: | Crystal structure of MERS-CoV 3CL protease in spacegroup P212121 To Be Published
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7YSE
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![BU of 7yse by Molmil](/molmil-images/mine/7yse) | Crystal structure of E. coli heterotetrameric GlyRS in complex with tRNA | Descriptor: | Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, MAGNESIUM ION, ... | Authors: | Han, L, Ju, Y, Zhou, H. | Deposit date: | 2022-08-12 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.907 Å) | Cite: | The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements. Sci Adv, 9, 2023
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6L4L
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6L9J
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![BU of 6l9j by Molmil](/molmil-images/mine/6l9j) | Structure of yeast Snf5 and Swi3 subcomplex | Descriptor: | GLYCEROL, SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF complex subunit SWI3 | Authors: | Long, J, Zhou, H. | Deposit date: | 2019-11-10 | Release date: | 2020-11-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Snf5 and Swi3 subcomplex formation is required for SWI/SNF complex function in yeast. Biochem.Biophys.Res.Commun., 526, 2020
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6L2Q
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![BU of 6l2q by Molmil](/molmil-images/mine/6l2q) | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Guo, J, Chen, B, Zhou, H. | Deposit date: | 2019-10-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping. Eur.J.Med.Chem., 187, 2019
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6LQI
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![BU of 6lqi by Molmil](/molmil-images/mine/6lqi) | Cryo-EM structure of the mouse Piezo1 isoform Piezo1.1 | Descriptor: | Piezo-type mechanosensitive ion channel component 1 | Authors: | Geng, J, Liu, W, Zhou, H, Zhang, T, Wang, L, Zhang, M, Shen, B, Li, X, Xiao, B. | Deposit date: | 2020-01-13 | Release date: | 2020-03-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | A Plug-and-Latch Mechanism for Gating the Mechanosensitive Piezo Channel. Neuron, 106, 2020
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7D5C
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![BU of 7d5c by Molmil](/molmil-images/mine/7d5c) | IleRS in complex with a tRNA site inhibitor | Descriptor: | (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ... | Authors: | Chen, B, Luo, S, Zhou, H. | Deposit date: | 2020-09-25 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase. Nat Commun, 12, 2021
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7DOR
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![BU of 7dor by Molmil](/molmil-images/mine/7dor) | E. coli GyrB ATPase domain in complex with 4-nitropheno | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-16 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DPR
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7DPS
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7DQH
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![BU of 7dqh by Molmil](/molmil-images/mine/7dqh) | E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-23 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQI
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![BU of 7dqi by Molmil](/molmil-images/mine/7dqi) | E. coli GyrB ATPase domain in complex with Esculetin | Descriptor: | 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-23 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQJ
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![BU of 7dqj by Molmil](/molmil-images/mine/7dqj) | E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone | Descriptor: | 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQF
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7DQU
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![BU of 7dqu by Molmil](/molmil-images/mine/7dqu) | E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate | Descriptor: | 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQL
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![BU of 7dql by Molmil](/molmil-images/mine/7dql) | E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol | Descriptor: | 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQM
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![BU of 7dqm by Molmil](/molmil-images/mine/7dqm) | E. coli GyrB ATPase domain in complex with Naringenin | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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