1VKC
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![BU of 1vkc by Molmil](/molmil-images/mine/1vkc) | Putative acetyl transferase from Pyrococcus furiosus | Descriptor: | IODIDE ION, putative acetyl transferase | Authors: | Habel, J.E, Liu, Z.-J, Tempel, W, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-05-11 | Release date: | 2004-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Putative acetyl transferase from Pyrococcus furiosus To be published
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4NJH
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![BU of 4njh by Molmil](/molmil-images/mine/4njh) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxy-5,6,7,8-tetrahydropterin | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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1DP7
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![BU of 1dp7 by Molmil](/molmil-images/mine/1dp7) | COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ... | Authors: | Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K. | Deposit date: | 1999-12-23 | Release date: | 2000-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding. Nature, 403, 2000
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1E37
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![BU of 1e37 by Molmil](/molmil-images/mine/1e37) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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7JFM
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![BU of 7jfm by Molmil](/molmil-images/mine/7jfm) | |
5R7Y
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![BU of 5r7y by Molmil](/molmil-images/mine/5r7y) | PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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2XHI
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![BU of 2xhi by Molmil](/molmil-images/mine/2xhi) | Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | Authors: | Dalhus, B, Forsbring, M, Helle, I.H, Backe, P.H, Forstrom, R.J, Alseth, I, Bjoras, M. | Deposit date: | 2010-06-16 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Separation-of-Function Mutants Unravel the Dual- Reaction Mode of Human 8-Oxoguanine DNA Glycosylase. Structure, 19, 2011
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2PT3
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![BU of 2pt3 by Molmil](/molmil-images/mine/2pt3) | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | Deposit date: | 2007-05-08 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites To be Published
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3PMP
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![BU of 3pmp by Molmil](/molmil-images/mine/3pmp) | Crystal Structure of Cyclophilin A from Moniliophthora perniciosa in complex with Cyclosporin A | Descriptor: | CYCLOSPORIN A, Cyclophilin A | Authors: | Monzani, P, Pereira, H.M, Gramacho, K.P, Meirelles, F.V, Oliva, G, Cascardo, J.C.C. | Deposit date: | 2010-11-17 | Release date: | 2011-11-23 | Last modified: | 2023-05-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of Cyclophilin A from Moniliophthora perniciosa To be Published
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1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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4NWR
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![BU of 4nwr by Molmil](/molmil-images/mine/4nwr) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28 | Descriptor: | Macrophage migration inhibitory factor-like protein, integron gene cassette protein | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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4TT4
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![BU of 4tt4 by Molmil](/molmil-images/mine/4tt4) | Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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1T7J
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![BU of 1t7j by Molmil](/molmil-images/mine/1t7j) | crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V) | Descriptor: | ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | Deposit date: | 2004-05-10 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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3Q3L
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![BU of 3q3l by Molmil](/molmil-images/mine/3q3l) | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | Descriptor: | CALCIUM ION, Tt-IPPase | Authors: | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | Deposit date: | 2010-12-22 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (2.5 Å) | Cite: | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction. Acta Crystallogr.,Sect.F, 68, 2012
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1E38
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![BU of 1e38 by Molmil](/molmil-images/mine/1e38) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 2 MINUTES | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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1E3X
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![BU of 1e3x by Molmil](/molmil-images/mine/1e3x) | Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.92A | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, SODIUM ION | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-26 | Release date: | 2001-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
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4JV2
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![BU of 4jv2 by Molmil](/molmil-images/mine/4jv2) | Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming datp | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ... | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | Deposit date: | 2013-03-25 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4. Chem.Res.Toxicol., 26, 2013
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5R82
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![BU of 5r82 by Molmil](/molmil-images/mine/5r82) | PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216 | Descriptor: | 3C-like proteinase, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4AQX
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![BU of 4aqx by Molmil](/molmil-images/mine/4aqx) | Crystal structure of I-CreI complexed with its target methylated at position plus 2 (in the b strand) in the presence of magnesium | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*5CM)-3', 5'-D(*GP*AP*CP*AP*GP*TP*TP*TP*GP*GP)-3', 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP*GP*AP)-3', ... | Authors: | Valton, J, Daboussi, F, Leduc, S, Redondo, P, Macmaster, R, Molina, R, Montoya, G, Duchateau, P. | Deposit date: | 2012-04-19 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 5'-Cytosine-Phosphoguanine (Cpg) Methylation Impacts the Activity of Natural and Engineered Meganucleases. J.Biol.Chem., 287, 2012
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4AWI
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![BU of 4awi by Molmil](/molmil-images/mine/4awi) | Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION | Authors: | Chung, C, Vicentini, G, Liddle, J, Bamborough, P. | Deposit date: | 2012-06-03 | Release date: | 2013-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy. Bioorg.Med.Chem.Lett., 22, 2012
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4RWP
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![BU of 4rwp by Molmil](/molmil-images/mine/4rwp) | Crystal structure of porcine OAS1 in complex with dsRNA | Descriptor: | 2'-5'-oligoadenylate synthase 1, RNA (5'-R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3'), RNA (5'-R(*UP*UP*CP*AP*UP*AP*AP*AP*GP*GP*UP*CP*AP*AP*AP*AP*GP*CP*C)-3') | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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3SD8
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![BU of 3sd8 by Molmil](/molmil-images/mine/3sd8) | Crystal structure of Ara-FHNA decamer DNA | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(F4H)P*AP*CP*GP*C)-3', STRONTIUM ION | Authors: | Egli, M, Pallan, P.S. | Deposit date: | 2011-06-08 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Origins of Opposite Effects on Stability by Axial and Equatorial 3'-Fluoro Modifications of Hexitol Nucleic Acid (HNA) To be Published
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5E9W
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![BU of 5e9w by Molmil](/molmil-images/mine/5e9w) | |
3KRO
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![BU of 3kro by Molmil](/molmil-images/mine/3kro) | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-19 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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3FI0
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![BU of 3fi0 by Molmil](/molmil-images/mine/3fi0) | Crystal Structure Analysis of B. stearothermophilus Tryptophanyl-tRNA Synthetase Complexed with Tryptophan, AMP, and Inorganic Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ... | Authors: | Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W. | Deposit date: | 2008-12-10 | Release date: | 2009-02-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations. Proc.Natl.Acad.Sci.Usa, 106, 2009
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