2I4R
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![BU of 2i4r by Molmil](/molmil-images/mine/2i4r) | Crystal structure of the V-type ATP synthase subunit F from Archaeoglobus fulgidus. NESG target GR52A. | Descriptor: | V-type ATP synthase subunit F | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Zhao, L, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-08-22 | Release date: | 2006-08-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the V-type ATP synthase subunit F from Archaeoglobus fulgidus To be Published
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6CF0
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![BU of 6cf0 by Molmil](/molmil-images/mine/6cf0) | Sperm Whale Myoglobin H64V Mutant with Nitrite | Descriptor: | GLYCEROL, Myoglobin, NITRITE ION, ... | Authors: | Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2018-02-13 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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2KT2
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![BU of 2kt2 by Molmil](/molmil-images/mine/2kt2) | Structure of NmerA, the N-terminal HMA domain of Tn501 Mercuric Reductase | Descriptor: | Mercuric reductase | Authors: | Ledwidge, R, Danacea, F, Dotsch, V, Miller, S.M. | Deposit date: | 2010-01-17 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NmerA of Tn501 mercuric ion reductase: structural modulation of the pKa values of the metal binding cysteine thiols. Biochemistry, 49, 2010
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1KS4
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![BU of 1ks4 by Molmil](/molmil-images/mine/1ks4) | The structure of Aspergillus niger endoglucanase-palladium complex | Descriptor: | Endoglucanase A, PALLADIUM ION | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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6NCM
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![BU of 6ncm by Molmil](/molmil-images/mine/6ncm) | Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like (FHL) DNA sequence | Descriptor: | DNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*CP*TP*AP*AP*GP*AP*CP*GP*CP*TP*A)-3'), Forkhead box protein N3, ... | Authors: | Rogers, J.M, Jarrett, S.M, Seegar, T.C, Waters, C.T, Hallworth, A.N, Blacklow, S.C, Bulyk, M.L. | Deposit date: | 2018-12-11 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes. Mol. Cell, 74, 2019
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2PB1
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![BU of 2pb1 by Molmil](/molmil-images/mine/2pb1) | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A | Descriptor: | 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Hypothetical protein XOG1 | Authors: | Cutfield, S.M, Cutfield, J.F, Davies, G.J, Sullivan, P.A. | Deposit date: | 2007-03-28 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A To be Published
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2I2L
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![BU of 2i2l by Molmil](/molmil-images/mine/2i2l) | X-ray Crystal Structure of Protein yopX from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR411. | Descriptor: | YopX protein | Authors: | Vorobiev, S.M, Zhou, W, Seetharaman, J, Forouhar, F, Kuzin, A.A, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Acton, T, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-08-16 | Release date: | 2006-08-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the hypothetical protein yopX from Bacillus subtilis To be Published
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6NEA
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![BU of 6nea by Molmil](/molmil-images/mine/6nea) | Human Acetylcholinesterase in complex with reactivator, HLo7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D. | Deposit date: | 2018-12-17 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate. Acs Med.Chem.Lett., 10, 2019
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6NCE
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![BU of 6nce by Molmil](/molmil-images/mine/6nce) | Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead DNA sequence | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*TP*GP*TP*TP*TP*AP*CP*TP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*AP*GP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), Forkhead box protein N3, ... | Authors: | Rogers, J.M, Jarrett, S.M, Seegar, T.C, Waters, C.T, Hallworth, A.N, Blacklow, S.C, Bulyk, M.L. | Deposit date: | 2018-12-11 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes. Mol. Cell, 74, 2019
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1KJI
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![BU of 1kji by Molmil](/molmil-images/mine/1kji) | Crystal structure of glycinamide ribonucleotide transformylase in complex with Mg-AMPPCP | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M. | Deposit date: | 2001-12-04 | Release date: | 2002-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site. J.Biol.Chem., 277, 2002
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6CQT
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![BU of 6cqt by Molmil](/molmil-images/mine/6cqt) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (-) Stereoisomer of VX | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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2L07
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![BU of 2l07 by Molmil](/molmil-images/mine/2l07) | 1H, 13C, and 15N chemical shifts and structure of brazzein-derived peptide CKR-PNG | Descriptor: | Defensin-like protein | Authors: | Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M. | Deposit date: | 2010-06-30 | Release date: | 2011-06-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural role of the terminal disulfide bond in the sweetness of brazzein. Chem Senses, 36, 2011
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6ND2
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![BU of 6nd2 by Molmil](/molmil-images/mine/6nd2) | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063) | Descriptor: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Reeve, S.M, Wright, D.L. | Deposit date: | 2018-12-13 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates. Drug Metab.Dispos., 47, 2019
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8FBZ
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![BU of 8fbz by Molmil](/molmil-images/mine/8fbz) | Crystal Structure of apo human Glutathione Synthetase Y270E | Descriptor: | GLYCEROL, Glutathione synthetase, SULFATE ION | Authors: | Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N. | Deposit date: | 2022-11-30 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy. Sci Adv, 10, 2024
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6QDV
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![BU of 6qdv by Molmil](/molmil-images/mine/6qdv) | Human post-catalytic P complex spliceosome | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | Authors: | Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation. Science, 363, 2019
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6CQZ
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![BU of 6cqz by Molmil](/molmil-images/mine/6cqz) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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2IWS
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![BU of 2iws by Molmil](/molmil-images/mine/2iws) | Radicicol analogues bound to the ATP site of HSP90 | Descriptor: | (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2006-07-04 | Release date: | 2006-11-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol. Chem.Biol., 13, 2006
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2IFT
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![BU of 2ift by Molmil](/molmil-images/mine/2ift) | Crystal structure of putative methylase HI0767 from Haemophilus influenzae. NESG target IR102. | Descriptor: | Putative methylase HI0767 | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-09-21 | Release date: | 2006-10-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the putative methylase HI0767 from Haemophilus influenzae. To be Published
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6NNC
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![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NTM
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![BU of 6ntm by Molmil](/molmil-images/mine/6ntm) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 in Complex with the Reactivator, HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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2PC8
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![BU of 2pc8 by Molmil](/molmil-images/mine/2pc8) | E292Q mutant of EXO-B-(1,3)-Glucanase from Candida Albicans in complex with two separately bound glucopyranoside units at 1.8 A | Descriptor: | Hypothetical protein XOG1, beta-D-glucopyranose | Authors: | Cutfield, S.M, Cutfield, J.F, Patrick, W.M. | Deposit date: | 2007-03-29 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance. Febs J., 277, 2010
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2J0O
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![BU of 2j0o by Molmil](/molmil-images/mine/2j0o) | Shigella Flexneri IpaD | Descriptor: | GLYCEROL, INVASIN IPAD | Authors: | Johnson, S, Roversi, P, Lea, S.M. | Deposit date: | 2006-08-04 | Release date: | 2006-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Self-chaperoning of the type III secretion system needle tip proteins IpaD and BipD. J. Biol. Chem., 282, 2007
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2J8B
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![BU of 2j8b by Molmil](/molmil-images/mine/2j8b) | High resolution structure of human CD59 | Descriptor: | CD59 GLYCOPROTEIN | Authors: | Leath, K.J, Johnson, S, Roversi, P, Morgan, B.P, Smith, R.A.G, Lea, S.M. | Deposit date: | 2006-10-24 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | High-Resolution Structures of Bacterially Expressed Soluble Human Cd59. Acta Crystallogr.,Sect.F, 63, 2007
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1BA0
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![BU of 1ba0 by Molmil](/molmil-images/mine/1ba0) | HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL 1NGE 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HEAT-SHOCK COGNATE 70KD PROTEIN, ... | Authors: | Wilbanks, S.M, Mckay, D.B. | Deposit date: | 1998-04-21 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural replacement of active site monovalent cations by the epsilon-amino group of lysine in the ATPase fragment of bovine Hsc70. Biochemistry, 37, 1998
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6NE0
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![BU of 6ne0 by Molmil](/molmil-images/mine/6ne0) | Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14) | Descriptor: | CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ... | Authors: | Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C. | Deposit date: | 2018-12-15 | Release date: | 2018-12-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry. Mol. Cell, 74, 2019
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