4BCF
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![BU of 4bcf by Molmil](/molmil-images/mine/4bcf) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (3.011 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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1Z8N
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![BU of 1z8n by Molmil](/molmil-images/mine/1z8n) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With An Imidazolinone Herbicide, Imazaquin | 分子名称: | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | 著者 | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | 登録日 | 2005-03-31 | 公開日 | 2006-01-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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4AXU
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![BU of 4axu by Molmil](/molmil-images/mine/4axu) | CRYSTAL STRUCTURE OF THAUMATIN FROM AN AUTO-HARVESTED CRYSTAL, control experiment | 分子名称: | THAUMATIN-1 | 著者 | Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A. | 登録日 | 2012-06-14 | 公開日 | 2012-10-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films Acta Crystallogr.,Sect.D, 68, 2012
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4B1G
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![BU of 4b1g by Molmil](/molmil-images/mine/4b1g) | Structure of unliganded human PARG catalytic domain | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2012-07-10 | 公開日 | 2012-12-19 | 最終更新日 | 2013-01-16 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B21
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![BU of 4b21 by Molmil](/molmil-images/mine/4b21) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | 分子名称: | 5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*GP*AP*TP*CP*GP)-3', PHOSPHATE ION, ... | 著者 | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | 登録日 | 2012-07-12 | 公開日 | 2013-01-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4B6C
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![BU of 4b6c by Molmil](/molmil-images/mine/4b6c) | Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | 分子名称: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | 著者 | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | 登録日 | 2012-08-09 | 公開日 | 2013-01-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis. ACS Chem. Biol., 8, 2013
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1ZTG
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![BU of 1ztg by Molmil](/molmil-images/mine/1ztg) | human alpha polyC binding protein KH1 | 分子名称: | 5'-D(P*CP*CP*CP*TP*CP*CP*CP*T)-3', POLY(RC)-BINDING PROTEIN 1 | 著者 | Sidiqi, M, Wilce, J.A, Barker, A, Schmidgerger, J, Leedman, P.J, Wilce, M.C.J. | 登録日 | 2005-05-27 | 公開日 | 2006-05-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Contribution of the first K-homology domain of poly(C)-binding protein 1 to its affinity and specificity for C-rich oligonucleotides Nucleic Acids Res., 40, 2012
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5AMW
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![BU of 5amw by Molmil](/molmil-images/mine/5amw) | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 2 protein (A141F) processed with the CrystalDirect automated mounting and cryo-cooling technology | 分子名称: | Fra a 2 allergen | 著者 | Zander, U, Casanal, A, Pott, D, Valpuesta, V, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A. | 登録日 | 2015-09-02 | 公開日 | 2016-04-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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5ANK
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![BU of 5ank by Molmil](/molmil-images/mine/5ank) | Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | 分子名称: | 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2 | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | 登録日 | 2015-09-07 | 公開日 | 2016-04-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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5AYI
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![BU of 5ayi by Molmil](/molmil-images/mine/5ayi) | Crystal structure of GH1 Beta-glucosidase TD2F2 N223Q mutant | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, GLYCEROL, ... | 著者 | Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S. | 登録日 | 2015-08-21 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2 Febs J., 283, 2016
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3ZTA
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![BU of 3zta by Molmil](/molmil-images/mine/3zta) | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | 分子名称: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN | 著者 | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | 登録日 | 2011-07-06 | 公開日 | 2012-02-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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3ZHG
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3ZS2
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![BU of 3zs2 by Molmil](/molmil-images/mine/3zs2) | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | 分子名称: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | 著者 | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | 登録日 | 2011-06-21 | 公開日 | 2011-08-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
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5DFK
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3ZTB
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![BU of 3ztb by Molmil](/molmil-images/mine/3ztb) | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | 分子名称: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, IODIDE ION | 著者 | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | 登録日 | 2011-07-06 | 公開日 | 2012-02-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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3ZUS
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![BU of 3zus by Molmil](/molmil-images/mine/3zus) | Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC-A-SNAP23-Hn-A | 分子名称: | BOTULINUM NEUROTOXIN TYPE A, SYNAPTOSOMAL-ASSOCIATED PROTEIN 23, ZINC ION | 著者 | Masuyer, G, Stancombe, P, Chaddock, J.A, Acharya, K.R. | 登録日 | 2011-07-19 | 公開日 | 2011-12-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structures of Engineered Clostridium Botulinum Neurotoxin Derivatives Acta Crystallogr.,Sect.F, 67, 2011
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3ZUM
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![BU of 3zum by Molmil](/molmil-images/mine/3zum) | Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | 著者 | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | 登録日 | 2011-07-19 | 公開日 | 2011-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-). J Phys Chem B, 115, 2011
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5DS5
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![BU of 5ds5 by Molmil](/molmil-images/mine/5ds5) | Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA and Mg | 分子名称: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | 著者 | Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A. | 登録日 | 2015-09-16 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.951 Å) | 主引用文献 | Foreign DNA capture during CRISPR-Cas adaptive immunity. Nature, 527, 2015
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4BCG
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![BU of 4bcg by Molmil](/molmil-images/mine/4bcg) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-04-17 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (3.085 Å) | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
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4BCO
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![BU of 4bco by Molmil](/molmil-images/mine/4bco) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2013-02-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4B9B
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![BU of 4b9b by Molmil](/molmil-images/mine/4b9b) | The structure of the omega aminotransferase from Pseudomonas aeruginosa | 分子名称: | BETA-ALANINE-PYRUVATE TRANSAMINASE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Sayer, C, Isupov, M.N, Westlake, A, Littlechild, J.A. | 登録日 | 2012-09-03 | 公開日 | 2013-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity. Acta Crystallogr.,Sect.D, 69, 2013
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5CYI
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![BU of 5cyi by Molmil](/molmil-images/mine/5cyi) | CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | 分子名称: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | 著者 | Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J. | 登録日 | 2015-07-30 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem.Biol., 22, 2015
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4BCN
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![BU of 4bcn by Molmil](/molmil-images/mine/4bcn) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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1XUQ
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![BU of 1xuq by Molmil](/molmil-images/mine/1xuq) | Crystal Structure of SodA-1 (BA4499) from Bacillus anthracis at 1.8A Resolution. | 分子名称: | MANGANESE (II) ION, Superoxide dismutase | 著者 | Boucher, I.W, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S. | 登録日 | 2004-10-26 | 公開日 | 2005-07-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre. Acta Crystallogr.,Sect.F, 61, 2005
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4BE4
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![BU of 4be4 by Molmil](/molmil-images/mine/4be4) | Closed conformation of O. piceae sterol esterase | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | 登録日 | 2013-03-05 | 公開日 | 2014-03-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release. J.Struct.Biol., 187, 2014
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