8IME
| Human cGAS catalytic domain bound with baicalin | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMG
| Human cGAS catalytic domain bound with C20 | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IJ1
| Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | Authors: | Dai, Z, Liang, L, Yin, Y.X. | Deposit date: | 2023-02-24 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase. Embo J., 43, 2024
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5ZVS
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5XUS
| Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TTTA PAM) | Descriptor: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*A)-3'), ... | Authors: | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2017-06-26 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1. Mol. Cell, 67, 2017
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5XH6
| Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RVR variant in complex with crRNA and target DNA (TATA PAM) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | Authors: | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | Deposit date: | 2017-04-19 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1 Mol. Cell, 67, 2017
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5X2G
| Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACC PAM) | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | Authors: | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2017-01-31 | Release date: | 2017-03-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems Mol. Cell, 65, 2017
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5X2H
| Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM) | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | Authors: | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2017-01-31 | Release date: | 2017-03-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems Mol. Cell, 65, 2017
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2HYU
| Human Annexin A2 with heparin tetrasaccharide bound | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION | Authors: | Shao, C, Head, J.F, Seaton, B.A. | Deposit date: | 2006-08-07 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2. J.Biol.Chem., 281, 2006
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7KX5
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2020-12-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
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5GW8
| Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Xu, J, Xu, H, Liu, J. | Deposit date: | 2016-09-09 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity. Biochem. Biophys. Res. Commun., 488, 2017
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2V8L
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2VQ4
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5KQ5
| AMPK bound to allosteric activator | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2016-07-05 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy. J.Med.Chem., 59, 2016
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3UG9
| Crystal Structure of the Closed State of Channelrhodopsin | Descriptor: | Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ... | Authors: | Kato, H.E, Ishitani, R, Nureki, O. | Deposit date: | 2011-11-02 | Release date: | 2012-01-25 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the channelrhodopsin light-gated cation channel Nature, 482, 2012
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7WSO
| Structure of a membrane protein G | Descriptor: | B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, Immunoglobulin heavy constant gamma 1 | Authors: | Ma, X, Zhu, Y, Chen, Y, Huang, Z. | Deposit date: | 2022-01-30 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structures of two human B cell receptor isotypes. Science, 377, 2022
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2V8M
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4YT3
| CYP106A2 | Descriptor: | ACETATE ION, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE | Authors: | janocha, S, carius, y, bernhardt, r, lancaster, c.r.d. | Deposit date: | 2015-03-17 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form. Chembiochem, 17, 2016
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4IGP
| Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme | Descriptor: | FE (III) ION, Os05g0196500 protein | Authors: | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | Deposit date: | 2012-12-17 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice. PLoS Genet., 9, 2013
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7VRS
| The complex of Acyltransferase and Acyl Carrier Protein Domains from module 9 of Salinomycin Polyketide Synthase | Descriptor: | 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione), 4'-PHOSPHOPANTETHEINE, Type I modular polyketide synthase | Authors: | Feng, Y, Zheng, J. | Deposit date: | 2021-10-24 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase. Acta Crystallogr D Struct Biol, 78, 2022
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4IGO
| Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein | Authors: | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | Deposit date: | 2012-12-17 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice. PLoS Genet., 9, 2013
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7VTI
| Crystal structure of the Cas13bt3-crRNA binary complex | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Nakagawa, R, Takeda, N.S, Tomita, A, Hirano, H, Kusakizako, T, Nishizawa, T, Yamashita, K, Nishimasu, H, Nureki, O. | Deposit date: | 2021-10-29 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and engineering of the minimal type VI CRISPR-Cas13bt3. Mol.Cell, 82, 2022
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4IGQ
| Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate | Descriptor: | FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ... | Authors: | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | Deposit date: | 2012-12-17 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice. PLoS Genet., 9, 2013
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1UEL
| Solution structure of ubiquitin-like domain of hHR23B complexed with ubiquitin-interacting motif of proteasome subunit S5a | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4, UV excision repair protein RAD23 homolog B | Authors: | Fujiwara, K, Tenno, T, Jee, J.G, Sugasawa, K, Ohki, I, Kojima, C, Tochio, H, Hiroaki, H, Hanaoka, H, Shirakawa, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-19 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of the Ubiquitin-interacting Motif of S5a Bound to the Ubiquitin-like Domain of HR23B J.Biol.Chem., 279, 2004
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4N1T
| Structure of human MTH1 in complex with TH287 | Descriptor: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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