1BIR
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![BU of 1bir by Molmil](/molmil-images/mine/1bir) | RIBONUCLEASE T1, PHE 100 TO ALA MUTANT COMPLEXED WITH 2' GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 | Authors: | Doumen, J, Gonciarz, M, Zegers, I, Loris, R, Wyns, L, Steyaert, J. | Deposit date: | 1996-01-04 | Release date: | 1996-08-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A catalytic function for the structurally conserved residue Phe 100 of ribonuclease T1. Protein Sci., 5, 1996
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5F0M
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![BU of 5f0m by Molmil](/molmil-images/mine/5f0m) | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1 (SeMet labeled) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | Deposit date: | 2015-11-27 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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1BE4
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![BU of 1be4 by Molmil](/molmil-images/mine/1be4) | NUCLEOSIDE DIPHOSPHATE KINASE ISOFORM B FROM BOVINE RETINA | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, NUCLEOSIDE DIPHOSPHATE TRANSFERASE | Authors: | Ladner, J.E, Abdulaev, N.G, Kakuev, D.L, Karaschuk, G.N, Tordova, M, Eisenstein, E, Fujiwara, J.H, Ridge, K.D, Gilliland, G.L. | Deposit date: | 1998-05-19 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleoside diphosphate kinase from bovine retina: purification, subcellular localization, molecular cloning, and three-dimensional structure. Biochemistry, 37, 1998
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5IMN
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![BU of 5imn by Molmil](/molmil-images/mine/5imn) | Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Christianson, D.W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry, 55, 2016
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7PCV
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5TNT
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![BU of 5tnt by Molmil](/molmil-images/mine/5tnt) | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ... | Authors: | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | Deposit date: | 2016-10-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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1BEP
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![BU of 1bep by Molmil](/molmil-images/mine/1bep) | EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE | Descriptor: | YEAST CYTOCHROME C PEROXIDASE, [7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON | Authors: | Miller, M, Kraut, J. | Deposit date: | 1998-05-16 | Release date: | 1998-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Effect of Unnatural Heme Substitution on Kinetics of Electron Transfer in Cytochrome C Peroxidase To be Published
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5TO0
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![BU of 5to0 by Molmil](/molmil-images/mine/5to0) | HTRA2 S276C mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial | Authors: | Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2016-10-15 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2. Cell Death Dis, 8, 2017
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8C38
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7PI5
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![BU of 7pi5 by Molmil](/molmil-images/mine/7pi5) | Unstacked stretched Dunaliella PSII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | Deposit date: | 2021-08-19 | Release date: | 2022-08-17 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes. Elife, 12, 2023
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7PI0
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![BU of 7pi0 by Molmil](/molmil-images/mine/7pi0) | Unstacked compact Dunaliella PSII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | Deposit date: | 2021-08-19 | Release date: | 2022-08-17 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes. Elife, 12, 2023
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5TCR
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![BU of 5tcr by Molmil](/molmil-images/mine/5tcr) | Atomic model of the Salmonella SPI-1 type III secretion injectisome basal body proteins InvG, PrgH, and PrgK | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2016-09-15 | Release date: | 2016-12-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body. Nature, 540, 2016
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4HZG
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![BU of 4hzg by Molmil](/molmil-images/mine/4hzg) | Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Stsiapanava, A, Weiss, M.S, Mesters, J.R, Kuta Smatanova, I. | Deposit date: | 2012-11-15 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31. Acta Crystallogr.,Sect.D, 70, 2014
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5IOY
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![BU of 5ioy by Molmil](/molmil-images/mine/5ioy) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)pyrrolidine-1-carboxamide at 1.77A resolution | Descriptor: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide, SULFATE ION, TetR-family transcriptional regulatory repressor protein | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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7KHU
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![BU of 7khu by Molmil](/molmil-images/mine/7khu) | Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-10-22 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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5IPA
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![BU of 5ipa by Molmil](/molmil-images/mine/5ipa) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with (E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one at 1.78A resolution | Descriptor: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, TetR-family transcriptional regulatory repressor protein | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-09 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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7PNK
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![BU of 7pnk by Molmil](/molmil-images/mine/7pnk) | Unstacked compact Dunaliella PSII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | Deposit date: | 2021-09-07 | Release date: | 2022-08-17 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes. Elife, 12, 2023
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7Q2I
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![BU of 7q2i by Molmil](/molmil-images/mine/7q2i) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine | Descriptor: | 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-25 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q2L
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![BU of 7q2l by Molmil](/molmil-images/mine/7q2l) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Aminopyrrolidin-2-one hydrochloride | Descriptor: | (3R)-3-aminopyrrolidin-2-one, Cholinephosphate cytidylyltransferase | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-25 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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5F6K
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![BU of 5f6k by Molmil](/molmil-images/mine/5f6k) | Crystal structure of the MLL3-Ash2L-RbBP5 complex | Descriptor: | Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-06 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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7Q2M
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![BU of 7q2m by Molmil](/molmil-images/mine/7q2m) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with but-3-yn-2-amine hydrochloride | Descriptor: | (2S)-but-3-yn-2-amine, Cholinephosphate cytidylyltransferase | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.F. | Deposit date: | 2021-10-25 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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5I8D
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![BU of 5i8d by Molmil](/molmil-images/mine/5i8d) | |
7PIN
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![BU of 7pin by Molmil](/molmil-images/mine/7pin) | Stacked compact Dunaliella PSII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | Deposit date: | 2021-08-22 | Release date: | 2022-08-17 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes. Elife, 12, 2023
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1JH3
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![BU of 1jh3 by Molmil](/molmil-images/mine/1jh3) | Solution structure of tyrosyl-tRNA synthetase C-terminal domain. | Descriptor: | TYROSYL-TRNA SYNTHETASE | Authors: | Guijarro, J.I, Pintar, A, Prochnicka-Chalufour, A, Guez, V, Gilquin, B, Bedouelle, H, Delepierre, M. | Deposit date: | 2001-06-27 | Release date: | 2002-03-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and Dynamics of the Anticodon Arm Binding Domain of Bacillus stearothermophilus
Tyrosyl-tRNA Synthetase Structure, 10, 2002
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5I14
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![BU of 5i14 by Molmil](/molmil-images/mine/5i14) | Truncated and mutated T4 lysozyme | Descriptor: | NICKEL (II) ION, mutated and truncated T4 lysozyme | Authors: | Klima, M, Boura, E. | Deposit date: | 2016-02-05 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography. Protein Sci., 26, 2017
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