1TZ7
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![BU of 1tz7 by Molmil](/molmil-images/mine/1tz7) | Aquifex aeolicus amylomaltase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-alpha-glucanotransferase | Authors: | Barends, T.R.M, Korf, H, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W. | Deposit date: | 2004-07-09 | Release date: | 2005-08-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural influences on product specificity in amylomaltase from Aquifex aeolicus TO BE PUBLISHED
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7AEU
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![BU of 7aeu by Molmil](/molmil-images/mine/7aeu) | |
7AET
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![BU of 7aet by Molmil](/molmil-images/mine/7aet) | |
7AEV
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3PCQ
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![BU of 3pcq by Molmil](/molmil-images/mine/3pcq) | Femtosecond X-ray protein Nanocrystallography | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H. | Deposit date: | 2010-10-21 | Release date: | 2011-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (8.984 Å) | Cite: | Femtosecond X-ray protein nanocrystallography. Nature, 470, 2011
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2J9X
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![BU of 2j9x by Molmil](/molmil-images/mine/2j9x) | Tryptophan Synthase in complex with GP, alpha-D,L-glycerol-phosphate, Cs, pH6.5 - alpha aminoacrylate form - (GP)E(A-A) | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, H, Kimmich, N, Harris, R, Niks, D, Blumenstein, L, Kulik, V, Barends, T.R, Schlichting, I, Dunn, M.F. | Deposit date: | 2006-11-16 | Release date: | 2007-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction by Alpha-Site Ligands. Biochemistry, 46, 2007
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4XOU
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![BU of 4xou by Molmil](/molmil-images/mine/4xou) | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | Deposit date: | 2015-01-16 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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4FHC
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![BU of 4fhc by Molmil](/molmil-images/mine/4fhc) | Spore photoproduct lyase | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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4FGD
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![BU of 4fgd by Molmil](/molmil-images/mine/4fgd) | Structure of the effector protein Tse1 from Pseudomonas aeruginosa, selenomethionine variant | Descriptor: | CHLORIDE ION, THIOCYANATE ION, Tse1 | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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4FGE
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![BU of 4fge by Molmil](/molmil-images/mine/4fge) | Structure of the effector protein Tse1 from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, GLYCEROL, THIOCYANATE ION, ... | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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4FHD
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![BU of 4fhd by Molmil](/molmil-images/mine/4fhd) | Spore photoproduct lyase complexed with dinucleoside spore photoproduct | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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4FHG
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![BU of 4fhg by Molmil](/molmil-images/mine/4fhg) | Spore photoproduct lyase C140S mutant | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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5FGT
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![BU of 5fgt by Molmil](/molmil-images/mine/5fgt) | Thaumatin solved by native sulphur-SAD using free-electron laser radiation | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.K, Boutet, S, Schlichting, I. | Deposit date: | 2015-12-21 | Release date: | 2016-06-08 | Last modified: | 2018-11-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data. Iucrj, 3, 2016
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5FGX
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![BU of 5fgx by Molmil](/molmil-images/mine/5fgx) | Thaumatin solved by native sulphur SAD using synchrotron radiation | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.J, Boutet, S, Schlichting, I. | Deposit date: | 2015-12-21 | Release date: | 2016-06-08 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data. Iucrj, 3, 2016
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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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3TEN
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![BU of 3ten by Molmil](/molmil-images/mine/3ten) | Holo form of carbon disulfide hydrolase | Descriptor: | CS2 hydrolase, ZINC ION | Authors: | Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. | Deposit date: | 2011-08-15 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon. Nature, 478, 2011
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3TEO
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![BU of 3teo by Molmil](/molmil-images/mine/3teo) | APO Form of carbon disulfide hydrolase (selenomethionine form) | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase | Authors: | Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. | Deposit date: | 2011-08-15 | Release date: | 2011-10-19 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon. Nature, 478, 2011
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4RWM
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![BU of 4rwm by Molmil](/molmil-images/mine/4rwm) | Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ... | Authors: | Dietl, A, Maalcke, W, Barends, T.R.M. | Deposit date: | 2014-12-05 | Release date: | 2015-08-12 | Last modified: | 2021-03-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An unexpected reactivity of the P460 cofactor in hydroxylamine oxidoreductase. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4HU4
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![BU of 4hu4 by Molmil](/molmil-images/mine/4hu4) | Crystal structure of EAL domain of the E. coli DosP - dimeric form | Descriptor: | Oxygen sensor protein DosP | Authors: | Tarnawski, M, Barends, T.R.M, Hartmann, E, Schlichting, I. | Deposit date: | 2012-11-02 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the catalytic EAL domain of the Escherichia coli direct oxygen sensor. Acta Crystallogr.,Sect.D, 69, 2013
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4HWY
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![BU of 4hwy by Molmil](/molmil-images/mine/4hwy) | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
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4HU3
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![BU of 4hu3 by Molmil](/molmil-images/mine/4hu3) | Crystal structure of EAL domain of the E. coli DosP - monomeric form | Descriptor: | Oxygen sensor protein DosP | Authors: | Tarnawski, M, Barends, T.R.M, Hartmann, E, Schlichting, I. | Deposit date: | 2012-11-02 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | Structures of the catalytic EAL domain of the Escherichia coli direct oxygen sensor. Acta Crystallogr.,Sect.D, 69, 2013
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4FHE
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![BU of 4fhe by Molmil](/molmil-images/mine/4fhe) | Spore photoproduct lyase C140A mutant | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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4FGI
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![BU of 4fgi by Molmil](/molmil-images/mine/4fgi) | Structure of the effector - immunity system Tse1 / Tsi1 from Pseudomonas aeruginosa | Descriptor: | Tse1, Tsi1 | Authors: | Benz, J, Sendlmeier, C, Barends, T.R.M, Meinhart, A. | Deposit date: | 2012-06-04 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Insights into the Effector - Immunity System Tse1/Tsi1 from Pseudomonas aeruginosa. Plos One, 7, 2012
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4FHF
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![BU of 4fhf by Molmil](/molmil-images/mine/4fhf) | Spore photoproduct lyase C140A mutant with dinucleoside spore photoproduct | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, PYROPHOSPHATE 2-, ... | Authors: | Benjdia, A, Heil, K, Barends, T.R.M, Carell, T, Schlichting, I. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into recognition and repair of UV-DNA damage by Spore Photoproduct Lyase, a radical SAM enzyme. Nucleic Acids Res., 40, 2012
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3CVY
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![BU of 3cvy by Molmil](/molmil-images/mine/3cvy) | Drosophila melanogaster (6-4) photolyase bound to repaired ds DNA | Descriptor: | DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DGP*DGP*DT)-3'), DNA (5'-D(*DTP*DAP*DCP*DCP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DTP*DG)-3'), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maul, M.J, Barends, T.R.M, Glas, A.F, Cryle, M.J, Schlichting, I, Carell, T. | Deposit date: | 2008-04-20 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanism of a DNA (6-4) photolyase. Angew.Chem.Int.Ed.Engl., 47, 2008
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