5OER
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![BU of 5oer by Molmil](/molmil-images/mine/5oer) | Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C, ... | Authors: | Gorel, A, Schlichting, I. | Deposit date: | 2017-07-09 | Release date: | 2017-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability. Nat Commun, 8, 2017
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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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1O76
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![BU of 1o76 by Molmil](/molmil-images/mine/1o76) | CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ... | Authors: | Fedorov, R, Ghosh, D, Schlichting, I. | Deposit date: | 2002-10-23 | Release date: | 2002-12-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes Arch.Biochem.Biophys., 409, 2003
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2QBO
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![BU of 2qbo by Molmil](/molmil-images/mine/2qbo) | Crystal structure of the P450cam G248V mutant in the cyanide bound state | Descriptor: | CAMPHOR, CYANIDE ION, Cytochrome P450-cam, ... | Authors: | von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I. | Deposit date: | 2007-06-18 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry. Biochemistry, 46, 2007
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2QBL
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![BU of 2qbl by Molmil](/molmil-images/mine/2qbl) | Crystal structure of ferric G248T cytochrome P450cam | Descriptor: | CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ... | Authors: | von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I. | Deposit date: | 2007-06-18 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry. Biochemistry, 46, 2007
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2QBN
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![BU of 2qbn by Molmil](/molmil-images/mine/2qbn) | Crystal structure of ferric G248V cytochrome P450cam | Descriptor: | CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ... | Authors: | von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I. | Deposit date: | 2007-06-18 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry. Biochemistry, 46, 2007
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2QBM
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![BU of 2qbm by Molmil](/molmil-images/mine/2qbm) | Crystal structure of the P450cam G248T mutant in the cyanide bound state | Descriptor: | CAMPHOR, CYANIDE ION, Cytochrome P450-cam, ... | Authors: | von Koenig, K, Makris, T.M, Sligar, S.D, Schlichting, I. | Deposit date: | 2007-06-18 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alteration of P450 Distal Pocket Solvent Leads to Impaired Proton Delivery and Changes in Heme Geometry. Biochemistry, 46, 2007
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3MGX
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![BU of 3mgx by Molmil](/molmil-images/mine/3mgx) | |
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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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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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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3TMK
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![BU of 3tmk by Molmil](/molmil-images/mine/3tmk) | CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDYLATE KINASE | Authors: | Lavie, A, Schlichting, I, Konrad, M, Goody, R.S, Brundiers, R, Reinstein, J. | Deposit date: | 1998-01-26 | Release date: | 1999-02-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of yeast thymidylate kinase complexed with the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-thymidyl) pentaphosphate (TP5A) at 2.0 A resolution: implications for catalysis and AZT activation. Biochemistry, 37, 1998
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5D5R
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![BU of 5d5r by Molmil](/molmil-images/mine/5d5r) | Horse-heart myoglobin - deoxy state | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Barends, T, Schlichting, I. | Deposit date: | 2015-08-11 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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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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5NBY
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![BU of 5nby by Molmil](/molmil-images/mine/5nby) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2017-03-02 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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2TMK
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![BU of 2tmk by Molmil](/molmil-images/mine/2tmk) | |
4CAS
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![BU of 4cas by Molmil](/molmil-images/mine/4cas) | Serial femtosecond crystallography structure of a photosynthetic reaction center | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | Deposit date: | 2013-10-09 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography. Nat Commun, 4, 2013
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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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7O7U
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![BU of 7o7u by Molmil](/molmil-images/mine/7o7u) | Crystal structure of rsEGFP2 in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Woodhouse, J, Coquelle, N, Barends, T.R.M, Schlichting, I, Weik, M, Colletier, J.-P. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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7O7W
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![BU of 7o7w by Molmil](/molmil-images/mine/7o7w) | Crystal structure of rsEGFP2 mutant V151L in the non-fluorescent off-state the determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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7O7V
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![BU of 7o7v by Molmil](/molmil-images/mine/7o7v) | Crystal structure of rsEGFP2 mutant V151A in the fluorescent on-state determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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7O7X
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![BU of 7o7x by Molmil](/molmil-images/mine/7o7x) | Crystal structure of rsEGFP2 mutant V151A in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | Descriptor: | Green fluorescent protein | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, Schlichting, I, Colletier, J.-P, Weik, M. | Deposit date: | 2021-04-13 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement. Chemphyschem, 23, 2022
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3O1A
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![BU of 3o1a by Molmil](/molmil-images/mine/3o1a) | |
8A9E
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![BU of 8a9e by Molmil](/molmil-images/mine/8a9e) | Lysozyme, 9-11 fs FEL pulses as determined by XTCAV | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme | Authors: | Barends, T, Nass, K, Gorel, A, Schlichting, I. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Microcrystallization methods To Be Published
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3NC3
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![BU of 3nc3 by Molmil](/molmil-images/mine/3nc3) | CYP134A1 structure with a closed substrate binding loop | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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