2HVX
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![BU of 2hvx by Molmil](/molmil-images/mine/2hvx) | Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design | Descriptor: | Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2006-07-31 | Release date: | 2007-06-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J.Med.Chem., 50, 2007
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5Z10
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![BU of 5z10 by Molmil](/molmil-images/mine/5z10) | Structure of the mechanosensitive Piezo1 channel | Descriptor: | Piezo-type mechanosensitive ion channel component 1 | Authors: | Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B. | Deposit date: | 2017-12-22 | Release date: | 2018-01-31 | Last modified: | 2020-01-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structure and mechanogating mechanism of the Piezo1 channel. Nature, 554, 2018
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7MWS
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![BU of 7mws by Molmil](/molmil-images/mine/7mws) | Crystal structure of tamarin CD81 large extracellular loop | Descriptor: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7YK6
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![BU of 7yk6 by Molmil](/molmil-images/mine/7yk6) | Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YJ4
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![BU of 7yj4 by Molmil](/molmil-images/mine/7yj4) | Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-19 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YK7
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![BU of 7yk7 by Molmil](/molmil-images/mine/7yk7) | Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W. | Deposit date: | 2022-07-21 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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2KFB
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![BU of 2kfb by Molmil](/molmil-images/mine/2kfb) | The structure of the cataract causing P23T mutant of human gamma-D crystallin | Descriptor: | Gamma-crystallin D | Authors: | Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M. | Deposit date: | 2009-02-12 | Release date: | 2009-07-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes. Biochemistry, 48, 2009
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3QG9
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![BU of 3qg9 by Molmil](/molmil-images/mine/3qg9) | crystal structure of FBF-2/gld-1 FBEa A7U mutant complex | Descriptor: | 1,2-ETHANEDIOL, 5'-R(*UP*GP*UP*GP*CP*CP*UP*UP*A)-3', Fem-3 mRNA-binding factor 2 | Authors: | Koh, Y.Y, Wang, Y, Qiu, C, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M. | Deposit date: | 2011-01-24 | Release date: | 2011-03-23 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stacking interactions in PUF-RNA complexes. Rna, 17, 2011
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4KO5
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![BU of 4ko5 by Molmil](/molmil-images/mine/4ko5) | Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F) | Descriptor: | Azurin, COPPER (II) ION | Authors: | Inampudi, K.K, Wang, Y, Meng, W, Tobin, P.H, Wilson, C.J. | Deposit date: | 2013-05-11 | Release date: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F) To be Published
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4L1A
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![BU of 4l1a by Molmil](/molmil-images/mine/4l1a) | Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance | Descriptor: | MDR769 HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L. | Deposit date: | 2013-06-03 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance. Biochem.Biophys.Res.Commun., 437, 2013
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3PP8
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![BU of 3pp8 by Molmil](/molmil-images/mine/3pp8) | 2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium | Descriptor: | Glyoxylate/hydroxypyruvate reductase A | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Wang, Y, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-11-24 | Release date: | 2010-12-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium. TO BE PUBLISHED
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7W3X
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![BU of 7w3x by Molmil](/molmil-images/mine/7w3x) | Cryo-EM structure of plant receptor like protein RXEG1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-localized LRR receptor-like protein, ... | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | Deposit date: | 2021-11-26 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase. Nature, 610, 2022
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7W3V
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![BU of 7w3v by Molmil](/molmil-images/mine/7w3v) | Plant receptor like protein RXEG1 in complex with xyloglucanase XEG1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ... | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | Deposit date: | 2021-11-26 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase. Nature, 610, 2022
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7W3T
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![BU of 7w3t by Molmil](/molmil-images/mine/7w3t) | Cryo-EM structure of plant receptor like kinase NbBAK1 in RXEG1-BAK1-XEG1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | Deposit date: | 2021-11-26 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase. Nature, 610, 2022
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3PR2
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![BU of 3pr2 by Molmil](/molmil-images/mine/3pr2) | Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site | Descriptor: | (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | Authors: | Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J. | Deposit date: | 2010-11-29 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase. J.Am.Chem.Soc., 133, 2011
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4KVP
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![BU of 4kvp by Molmil](/molmil-images/mine/4kvp) | Human p53 Core Domain Mutant V157F | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Wallentine, B.D, Wang, Y, Luecke, H. | Deposit date: | 2013-05-22 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue. Acta Crystallogr.,Sect.D, 69, 2013
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6JXR
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![BU of 6jxr by Molmil](/molmil-images/mine/6jxr) | Structure of human T cell receptor-CD3 complex | Descriptor: | T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ... | Authors: | Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z. | Deposit date: | 2019-04-24 | Release date: | 2019-09-11 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of assembly of the human T cell receptor-CD3 complex. Nature, 573, 2019
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4LO9
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![BU of 4lo9 by Molmil](/molmil-images/mine/4lo9) | Human p53 Core Domain Mutant N235K | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Wallentine, B.D, Wang, Y, Luecke, H. | Deposit date: | 2013-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue. Acta Crystallogr.,Sect.D, 69, 2013
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6K3Z
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![BU of 6k3z by Molmil](/molmil-images/mine/6k3z) | Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-22 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K4P
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![BU of 6k4p by Molmil](/molmil-images/mine/6k4p) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-25 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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4LOF
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![BU of 4lof by Molmil](/molmil-images/mine/4lof) | Human p53 Core Domain Mutant V157F/N235K/N239Y | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Wallentine, B.D, Wang, Y, Luecke, H. | Deposit date: | 2013-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue. Acta Crystallogr.,Sect.D, 69, 2013
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6K4U
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![BU of 6k4u by Molmil](/molmil-images/mine/6k4u) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-27 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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4LOE
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![BU of 4loe by Molmil](/molmil-images/mine/4loe) | Human p53 Core Domain Mutant N239Y | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Wallentine, B.D, Wang, Y, Luecke, H. | Deposit date: | 2013-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue. Acta Crystallogr.,Sect.D, 69, 2013
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6CJ7
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![BU of 6cj7 by Molmil](/molmil-images/mine/6cj7) | Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12 | Descriptor: | Serpin-12 | Authors: | Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H. | Deposit date: | 2018-02-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph. Insect Biochem. Mol. Biol., 99, 2018
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6K4S
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![BU of 6k4s by Molmil](/molmil-images/mine/6k4s) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-targeted DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-26 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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