6ZAQ
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![BU of 6zaq by Molmil](/molmil-images/mine/6zaq) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure | Descriptor: | FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAL
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![BU of 6zal by Molmil](/molmil-images/mine/6zal) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAP
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![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAF
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![BU of 6zaf by Molmil](/molmil-images/mine/6zaf) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4001 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAJ
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![BU of 6zaj by Molmil](/molmil-images/mine/6zaj) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5301 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6OMB
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![BU of 6omb by Molmil](/molmil-images/mine/6omb) | Cdc48 Hexamer (Subunits A to E) with substrate bound to the central pore | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | Authors: | Cooney, I, Han, H, Stewart, M, Carson, R.H, Hansen, D, Price, J.C, Hill, C.P, Shen, P.S. | Deposit date: | 2019-04-18 | Release date: | 2019-07-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the Cdc48 segregase in the act of unfolding an authentic substrate. Science, 365, 2019
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6ZAM
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![BU of 6zam by Molmil](/molmil-images/mine/6zam) | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6OJ1
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![BU of 6oj1 by Molmil](/molmil-images/mine/6oj1) | Crystal Structure of Aspergillus fumigatus Ega3 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L. | Deposit date: | 2019-04-10 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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6ON3
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![BU of 6on3 by Molmil](/molmil-images/mine/6on3) | A substrate bound structure of L-DOPA dioxygenase from Streptomyces sclerotialus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYPHENYLALANINE, FE (II) ION, ... | Authors: | Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A. | Deposit date: | 2019-04-19 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus. Biochemistry, 58, 2019
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4O1G
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![BU of 4o1g by Molmil](/molmil-images/mine/4o1g) | MTB adenosine kinase in complex with gamma-Thio-ATP | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | Deposit date: | 2013-12-15 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
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4EV1
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![BU of 4ev1 by Molmil](/molmil-images/mine/4ev1) | Anabaena Tic22 (protein transport) | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Anabena Tic22, ... | Authors: | Koenig, P, Schleiff, E, Sinning, I, Tews, I. | Deposit date: | 2012-04-25 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Functional conservation of Tic22 in cyanobacterial outer membrane protein assembly and chloroplast translocation. TO BE PUBLISHED
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6A28
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![BU of 6a28 by Molmil](/molmil-images/mine/6a28) | Crystal structure of PprA W183R mutant form 2 | Descriptor: | DNA repair protein PprA, SULFATE ION | Authors: | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | Deposit date: | 2018-06-09 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans. FASEB J., 33, 2019
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6O9M
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![BU of 6o9m by Molmil](/molmil-images/mine/6o9m) | Structure of the human apo TFIIH | Descriptor: | CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ... | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
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6OD2
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![BU of 6od2 by Molmil](/molmil-images/mine/6od2) | Yeast Spc42 C-terminal Antiparallel Coiled-Coil | Descriptor: | Spindle pole body component SPC42 | Authors: | Drennan, A.C, Krishna, S, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jaspersen, S.L, Rayment, I. | Deposit date: | 2019-03-25 | Release date: | 2019-04-24 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.435 Å) | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication. Mol.Biol.Cell, 30, 2019
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6OMU
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![BU of 6omu by Molmil](/molmil-images/mine/6omu) | Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib | Descriptor: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, Tyrosine-protein kinase BTK | Authors: | Mochalkin, I, Gardberg, A.S. | Deposit date: | 2019-04-19 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62, 2019
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6O6C
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![BU of 6o6c by Molmil](/molmil-images/mine/6o6c) | RNA polymerase II elongation complex arrested at a CPD lesion | Descriptor: | DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Lahiri, I, Leshziner, A.E. | Deposit date: | 2019-03-05 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | 3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids. J.Struct.Biol., 207, 2019
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6O9L
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![BU of 6o9l by Molmil](/molmil-images/mine/6o9l) | Human holo-PIC in the closed state | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
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6ZW8
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![BU of 6zw8 by Molmil](/molmil-images/mine/6zw8) | Isopenicillin N synthase in complex with Cd and ACV. | Descriptor: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-07-27 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6O9N
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![BU of 6o9n by Molmil](/molmil-images/mine/6o9n) | Structural insights on a new fungal aryl-alcohol oxidase | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadowaki, M.A.S, Polikarpov, I. | Deposit date: | 2019-03-14 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Enzymatic versatility and thermostability of a new aryl-alcohol oxidase from Thermothelomyces thermophilus M77. Biochim Biophys Acta Gen Subj, 1864, 2020
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6OUX
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![BU of 6oux by Molmil](/molmil-images/mine/6oux) | Structure of SMUL_1544, a decarboxylase from Sulfurospirillum multivorans | Descriptor: | Threonine phosphate decarboxylase-like enzyme | Authors: | Wetterhorn, K.M, Rayment, I, Vecellio, A, Seeger, M, Keller, S, Schubert, T. | Deposit date: | 2019-05-05 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and functional analysis of an l-serine O-phosphate decarboxylase involved in norcobamide biosynthesis. Febs Lett., 593, 2019
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6OR0
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![BU of 6or0 by Molmil](/molmil-images/mine/6or0) | Crystal structure of Insulin from Non-merohedrally twinned crystals | Descriptor: | Insulin chain A, Insulin chain B | Authors: | Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R. | Deposit date: | 2019-04-29 | Release date: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Non-merohedral twinning: from minerals to proteins. Acta Crystallogr D Struct Biol, 75, 2019
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1DLF
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![BU of 1dlf by Molmil](/molmil-images/mine/1dlf) | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE FV FRAGMENT FROM AN ANTI-DANSYL SWITCH VARIANT ANTIBODY IGG2A(S) CRYSTALLIZED AT PH 5.25 | Descriptor: | ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S), SULFATE ION | Authors: | Nakasako, M, Takahashi, H, Shimada, I, Arata, Y. | Deposit date: | 1998-07-14 | Release date: | 1999-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The pH-dependent structural variation of complementarity-determining region H3 in the crystal structures of the Fv fragment from an anti-dansyl monoclonal antibody. J.Mol.Biol., 291, 1999
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6A27
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![BU of 6a27 by Molmil](/molmil-images/mine/6a27) | Crystal structure of PprA W183R mutant form 1 | Descriptor: | DNA repair protein PprA, GLYCEROL, SULFATE ION | Authors: | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | Deposit date: | 2018-06-09 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans. FASEB J., 33, 2019
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6A29
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![BU of 6a29 by Molmil](/molmil-images/mine/6a29) | Crystal structure of PprA A139R mutant | Descriptor: | DNA repair protein PprA | Authors: | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | Deposit date: | 2018-06-09 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans. FASEB J., 33, 2019
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6OPC
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![BU of 6opc by Molmil](/molmil-images/mine/6opc) | Cdc48 Hexamer in a complex with substrate and Shp1(Ubx Domain) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | Authors: | Cooney, I, Han, H, Stewart, M, Carson, R.H, Hansen, D, Price, J.C, Hill, C.P, Shen, P.S. | Deposit date: | 2019-04-24 | Release date: | 2019-07-10 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of the Cdc48 segregase in the act of unfolding an authentic substrate. Science, 365, 2019
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