3NWF
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![BU of 3nwf by Molmil](/molmil-images/mine/3nwf) | Glycoprotein B from Herpes simplex virus type 1, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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3NW8
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![BU of 3nw8 by Molmil](/molmil-images/mine/3nw8) | Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75915 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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7ZUI
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![BU of 7zui by Molmil](/molmil-images/mine/7zui) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUH
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![BU of 7zuh by Molmil](/molmil-images/mine/7zuh) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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2KU0
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![BU of 2ku0 by Molmil](/molmil-images/mine/2ku0) | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | Descriptor: | (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | Deposit date: | 2010-02-10 | Release date: | 2010-04-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NWD
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![BU of 3nwd by Molmil](/molmil-images/mine/3nwd) | Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8803 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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7ZUK
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![BU of 7zuk by Molmil](/molmil-images/mine/7zuk) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUJ
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![BU of 7zuj by Molmil](/molmil-images/mine/7zuj) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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3OIC
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![BU of 3oic by Molmil](/molmil-images/mine/3oic) | Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (apo form) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], SULFATE ION | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OJE
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![BU of 3oje by Molmil](/molmil-images/mine/3oje) | Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase (Apo form) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH) | Authors: | Kim, S.J, Ha, B.H, Kim, K.H, Hong, S.K, Suh, S.W, Kim, E.E. | Deposit date: | 2010-08-22 | Release date: | 2010-09-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus Biochem.Biophys.Res.Commun., 400, 2010
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2LSQ
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![BU of 2lsq by Molmil](/molmil-images/mine/2lsq) | Analog of the fragment 197-221 of beta-1 adrenoreceptor | Descriptor: | ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORECEPTOR | Authors: | Bushuev, V.N, Zykov, K.A, Bespalova, Z.D, Bibilashvili, R.S, Efremov, E.E, Golitsyn, S.P, Kaznacheeva, L.I, Kuzhetsova, T.V, Levashov, P.S, Masenko, V.P, Mironova, N.A, Molokoedov, F.S, Rutkevich, P.N, Rvacheva, A.V, Sharf, T.V, Sidorova, M.V, Vlasik, T.N, Yanushevskaya, E.V. | Deposit date: | 2012-05-04 | Release date: | 2013-05-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Analog of the fragment 197-221 of 1-adrenoreceptor To be Published
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3OIG
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![BU of 3oig by Molmil](/molmil-images/mine/3oig) | Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and INH) | Descriptor: | (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OJF
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![BU of 3ojf by Molmil](/molmil-images/mine/3ojf) | Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form) | Descriptor: | (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kim, S.J, Ha, B.H, Kim, K.H, Hong, S.K, Suh, S.W, Kim, E.E. | Deposit date: | 2010-08-22 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus Biochem.Biophys.Res.Commun., 400, 2010
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3OZ4
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![BU of 3oz4 by Molmil](/molmil-images/mine/3oz4) | R-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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8ADW
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![BU of 8adw by Molmil](/molmil-images/mine/8adw) | Lipidic alpha-synuclein fibril - polymorph L1C | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADU
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![BU of 8adu by Molmil](/molmil-images/mine/8adu) | Lipidic alpha-synuclein fibril - polymorph L1A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ANW
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![BU of 8anw by Molmil](/molmil-images/mine/8anw) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8). | Descriptor: | Capsid protein, VP0, VP1, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-08-06 | Release date: | 2022-10-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Production and Characterisation of Stabilised PV-3 Virus-like Particles Using Pichia pastoris . Viruses, 14, 2022
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8AEX
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![BU of 8aex by Molmil](/molmil-images/mine/8aex) | Lipidic alpha-synuclein fibril - polymorph L3A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-14 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADV
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![BU of 8adv by Molmil](/molmil-images/mine/8adv) | Lipidic alpha-synuclein fibril - polymorph L1B | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADS
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![BU of 8ads by Molmil](/molmil-images/mine/8ads) | Lipidic alpha-synuclein fibril - polymorph L2B | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8AYZ
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![BU of 8ayz by Molmil](/molmil-images/mine/8ayz) | Poliovirus type 2 (strain MEF-1) virus-like particle in complex with capsid binder compound 17 | Descriptor: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (1.88 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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8AYY
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![BU of 8ayy by Molmil](/molmil-images/mine/8ayy) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and Pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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8AYX
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![BU of 8ayx by Molmil](/molmil-images/mine/8ayx) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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8B1U
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![BU of 8b1u by Molmil](/molmil-images/mine/8b1u) | RecBCD-DNA in complex with the phage protein Abc2 and host PpiB | Descriptor: | Anti-RecBCD protein 2, DNA (70-MER), MAGNESIUM ION, ... | Authors: | Wilkinson, M, Wilkinson, O.J, Feyerherm, C, Fletcher, E.E, Wigley, D.B, Dillingham, M.S. | Deposit date: | 2022-09-12 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of RecBCD in complex with phage-encoded inhibitor proteins reveal distinctive strategies for evasion of a bacterial immunity hub. Elife, 11, 2022
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8B1R
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![BU of 8b1r by Molmil](/molmil-images/mine/8b1r) | RecBCD in complex with the phage protein gp5.9 | Descriptor: | MAGNESIUM ION, Probable RecBCD inhibitor gp5.9, RecBCD enzyme subunit RecB, ... | Authors: | Wilkinson, M, Wilkinson, O.J, Feyerherm, C, Fletcher, E.E, Wigley, D.B, Dillingham, M.S. | Deposit date: | 2022-09-12 | Release date: | 2022-12-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of RecBCD in complex with phage-encoded inhibitor proteins reveal distinctive strategies for evasion of a bacterial immunity hub. Elife, 11, 2022
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