6BY7
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![BU of 6by7 by Molmil](/molmil-images/mine/6by7) | Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | Descriptor: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | Authors: | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins. Angew. Chem. Int. Ed. Engl., 57, 2018
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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7EER
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![BU of 7eer by Molmil](/molmil-images/mine/7eer) | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with 05E6 and ATP | Descriptor: | 2-(1H-indol-3-yl)ethanol, ADENOSINE-5'-TRIPHOSPHATE, Tryptophan--tRNA ligase | Authors: | Lv, G, Fan, S, Feng, X, Zhang, Q, Wu, G, Jin, Y, Yang, Z. | Deposit date: | 2021-03-19 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with O5E6 and ATP To Be Published
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8JH5
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![BU of 8jh5 by Molmil](/molmil-images/mine/8jh5) | |
7UW2
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![BU of 7uw2 by Molmil](/molmil-images/mine/7uw2) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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7UW4
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![BU of 7uw4 by Molmil](/molmil-images/mine/7uw4) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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7VF4
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![BU of 7vf4 by Molmil](/molmil-images/mine/7vf4) | Crystal structure of Vps75 from Candida albicans | Descriptor: | CHLORIDE ION, SODIUM ION, Vps75 | Authors: | Wang, W, Chen, X, Yang, Z, Chen, X, Li, C, Wang, M. | Deposit date: | 2021-09-10 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of histone chaperone Vps75 from Candida albicans. Biochem.Biophys.Res.Commun., 578, 2021
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7W82
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![BU of 7w82 by Molmil](/molmil-images/mine/7w82) | Crystal structure of maize RDR2 | Descriptor: | RNA-dependent RNA polymerase | Authors: | Du, X, Yang, Z, Du, J. | Deposit date: | 2021-12-07 | Release date: | 2022-06-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of plant RNA-DEPENDENT RNA POLYMERASE 2, an enzyme involved in small interfering RNA production. Plant Cell, 34, 2022
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7W88
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![BU of 7w88 by Molmil](/molmil-images/mine/7w88) | |
7W84
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![BU of 7w84 by Molmil](/molmil-images/mine/7w84) | |
6KYX
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1XTE
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![BU of 1xte by Molmil](/molmil-images/mine/1xte) | crystal structure of CISK-PX domain | Descriptor: | Serine/threonine-protein kinase Sgk3 | Authors: | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | Deposit date: | 2004-10-21 | Release date: | 2004-11-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX) J.Biol.Chem., 279, 2004
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1XTN
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![BU of 1xtn by Molmil](/molmil-images/mine/1xtn) | crystal structure of CISK-PX domain with sulfates | Descriptor: | SULFATE ION, Serine/threonine-protein kinase Sgk3 | Authors: | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | Deposit date: | 2004-10-22 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX) J.Biol.Chem., 279, 2004
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5XP0
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8H4R
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![BU of 8h4r by Molmil](/molmil-images/mine/8h4r) | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ... | Authors: | Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z. | Deposit date: | 2022-10-11 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus To Be Published
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6IJ1
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![BU of 6ij1 by Molmil](/molmil-images/mine/6ij1) | Crystal structure of a protein from Actinoplanes | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-10-08 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus. Acta Crystallogr.,Sect.F, 75, 2019
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7RW4
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![BU of 7rw4 by Molmil](/molmil-images/mine/7rw4) | Crystal structure of junctophilin-1 | Descriptor: | ACETATE ION, GLYCEROL, Junctophilin-1 | Authors: | Yang, Z, Panwar, P, Van Petegem, F. | Deposit date: | 2021-08-19 | Release date: | 2022-02-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RXE
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![BU of 7rxe by Molmil](/molmil-images/mine/7rxe) | Crystal structure of junctophilin-2 | Descriptor: | CITRATE ANION, ISOPROPYL ALCOHOL, Junctophilin-2 N-terminal fragment | Authors: | Yang, Z, Panwar, P, Van Petegem, F. | Deposit date: | 2021-08-22 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
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7RXQ
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![BU of 7rxq by Molmil](/molmil-images/mine/7rxq) | Crystal structure of junctophilin-2 in complex with a CaV1.1 peptide | Descriptor: | ETHANOL, Junctophilin-2 N-terminal fragment, SULFATE ION, ... | Authors: | Yang, Z, Panwar, P, Van Petegem, F. | Deposit date: | 2021-08-23 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TLE
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![BU of 7tle by Molmil](/molmil-images/mine/7tle) | Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98716748 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLK
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![BU of 7tlk by Molmil](/molmil-images/mine/7tlk) | Crystal Structure of K-Ras(G12S) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71102226 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLG
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![BU of 7tlg by Molmil](/molmil-images/mine/7tlg) | Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.80000722 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7CCH
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![BU of 7cch by Molmil](/molmil-images/mine/7cch) | Acinetobacter baumannii histidine kinase AdeS | Descriptor: | AdeS | Authors: | Wen, Y, Felix, J. | Deposit date: | 2020-06-17 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.848 Å) | Cite: | Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS. Iscience, 24, 2021
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7CCI
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![BU of 7cci by Molmil](/molmil-images/mine/7cci) | |