6XZ1
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![BU of 6xz1 by Molmil](/molmil-images/mine/6xz1) | Conjugate of the HECT domain of HUWE1 with ubiquitin | 分子名称: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | 著者 | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | 登録日 | 2020-01-31 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe. Acs Chem.Biol., 16, 2021
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6Y6Z
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![BU of 6y6z by Molmil](/molmil-images/mine/6y6z) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | 分子名称: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | 著者 | Newman, H, Bellini, D, Dowson, C.G. | 登録日 | 2020-02-27 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion. Chem Sci, 11, 2020
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3V8D
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![BU of 3v8d by Molmil](/molmil-images/mine/3v8d) | Crystal structure of human CYP7A1 in complex with 7-ketocholesterol | 分子名称: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-12-22 | 公開日 | 2013-01-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of human CYP7A1 in complex with 7-ketocholesterol To be Published
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4Q2F
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![BU of 4q2f by Molmil](/molmil-images/mine/4q2f) | Galectin-1 in Complex with Ligand AN020 | 分子名称: | Galectin-1, SULFATE ION, prop-2-en-1-yl 2-(acetylamino)-4-O-(3-O-{[1-(5-amino-1H-1,2,4-triazol-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-beta-D-galactopyranosyl)-2-deoxy-beta-D-glucopyranoside | 著者 | Grimm, C, Bertleff-Zieschang, N. | 登録日 | 2014-04-08 | 公開日 | 2015-10-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Galectin-1 in Complex with Ligand AN020 To be Published
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2ZYP
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![BU of 2zyp by Molmil](/molmil-images/mine/2zyp) | X-ray structure of hen egg-white lysozyme with poly(allyl amine) | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | 著者 | Ito, L, Tomita, S, Yamaguchi, H, Shiraki, K. | 登録日 | 2009-01-27 | 公開日 | 2009-02-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | X-ray structure of hen egg-white lysozyme with poly(allyl amine) to be published
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3VR8
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![BU of 3vr8 by Molmil](/molmil-images/mine/3vr8) | Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum | 分子名称: | 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Shimizu, H, Shiba, T, Inaoka, D.K, Osanai, A, Kita, K, Sakamoto, K, Harada, S. | 登録日 | 2012-04-07 | 公開日 | 2012-07-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum J.Biochem., 151, 2012
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3VT9
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![BU of 3vt9 by Molmil](/molmil-images/mine/3vt9) | Crystal structures of rat VDR-LBD with W282R mutation | 分子名称: | (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | 著者 | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | 登録日 | 2012-05-19 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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3W0C
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![BU of 3w0c by Molmil](/molmil-images/mine/3w0c) | Crystal Structure Analysis of Vitamin D receptor | 分子名称: | (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor | 著者 | Itoh, S, Iijima, S. | 登録日 | 2012-10-29 | 公開日 | 2013-11-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | structure analysis of vitamin D receptor To be Published
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4QNQ
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2ZXC
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![BU of 2zxc by Molmil](/molmil-images/mine/2zxc) | Ceramidase complexed with C2 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Okano, H, Inoue, T, Okino, N, Kakuta, Y, Matsumura, H, Ito, M. | 登録日 | 2008-12-22 | 公開日 | 2009-02-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase. J.Biol.Chem., 284, 2009
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6YEZ
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![BU of 6yez by Molmil](/molmil-images/mine/6yez) | Plant PSI-ferredoxin-plastocyanin supercomplex | 分子名称: | (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, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | 著者 | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | 登録日 | 2020-03-25 | 公開日 | 2020-09-30 | 最終更新日 | 2021-07-07 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin. Nat.Plants, 6, 2020
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3W0Y
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![BU of 3w0y by Molmil](/molmil-images/mine/3w0y) | Crystal Structure Analysis of Vitamin D receptor | 分子名称: | Vitamin D3 receptor, [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid | 著者 | Itoh, S, Iijima, S. | 登録日 | 2012-11-05 | 公開日 | 2013-11-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal Structure Analysis of Vitamin D receptor TO BE PUBLISHED
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5AGZ
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![BU of 5agz by Molmil](/molmil-images/mine/5agz) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | 分子名称: | (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | 登録日 | 2015-02-04 | 公開日 | 2015-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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3A2O
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![BU of 3a2o by Molmil](/molmil-images/mine/3a2o) | Crystal Structure of HIV-1 Protease Complexed with KNI-1689 | 分子名称: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE | 著者 | Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R. | 登録日 | 2009-05-26 | 公開日 | 2010-03-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | 主引用文献 | Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. J.Med.Chem., 52, 2009
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3WHX
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![BU of 3whx by Molmil](/molmil-images/mine/3whx) | Crystal structure of anti-prostaglandin E2 Fab fragment PGE1 complex | 分子名称: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, mAb Fab H fragment, mAb Fab L fragment | 著者 | Sugahara, M, Ago, H, Saino, H, Miyano, M. | 登録日 | 2013-09-03 | 公開日 | 2014-09-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2 To be Published
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5C37
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![BU of 5c37 by Molmil](/molmil-images/mine/5c37) | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor | 分子名称: | 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ... | 著者 | Schubert, C, Milligan, C.M, Vo, K, Grasberger, B. | 登録日 | 2015-06-17 | 公開日 | 2016-06-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy. Bioorg.Med.Chem.Lett., 28, 2018
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4R69
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![BU of 4r69 by Molmil](/molmil-images/mine/4r69) | Lactate Dehydrogenase in complex with inhibitor compound 13 | 分子名称: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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5C8X
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![BU of 5c8x by Molmil](/molmil-images/mine/5c8x) | ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 20min | 分子名称: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, GLYCEROL, POTASSIUM ION, ... | 著者 | Hu, X.-J, Qi, Q, Yang, W.-J. | 登録日 | 2015-06-26 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Case Study of Lactonase ZHD To Be Published
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2Y77
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![BU of 2y77 by Molmil](/molmil-images/mine/2y77) | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | 分子名称: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | 著者 | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2011-01-28 | 公開日 | 2011-08-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J. Med. Chem., 54, 2011
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2YG2
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![BU of 2yg2 by Molmil](/molmil-images/mine/2yg2) | Structure of apolioprotein M in complex with Sphingosine 1-Phosphate | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, APOLIPOPROTEIN M, CITRATE ANION | 著者 | Christoffersen, C, Obinata, H, Gowda, S, Galvani, S, Ahnstrom, J, Sevvana, M, Egerer-Sieber, C, Muller, Y.A, Hla, T, Nielsen, L, Dahlback, B. | 登録日 | 2011-04-11 | 公開日 | 2011-06-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Endothelium-Protective Sphingosine-1-Phosphate Provided by Hdl-Associated Apolipoprotein M. Proc.Natl.Acad.Sci.USA, 108, 2011
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5C8Z
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![BU of 5c8z by Molmil](/molmil-images/mine/5c8z) | ZHD-ZGR complex after ZHD crystal soaking in ZEN for 30min | 分子名称: | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, FORMIC ACID, GLYCEROL, ... | 著者 | Hu, X.-J, Qi, Q, Yang, W.-J. | 登録日 | 2015-06-26 | 公開日 | 2016-06-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The structure of a complex of the lactonohydrolase zearalenone hydrolase with the hydrolysis product of zearalenone at 1.60 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 73, 2017
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4R3B
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6YFY
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![BU of 6yfy by Molmil](/molmil-images/mine/6yfy) | Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ... | 著者 | Weingarth, M.H, Shukla, R. | 登録日 | 2020-03-26 | 公開日 | 2020-06-10 | 最終更新日 | 2023-11-15 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Mode of action of teixobactins in cellular membranes. Nat Commun, 11, 2020
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4ZAY
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![BU of 4zay by Molmil](/molmil-images/mine/4zay) | Structure of UbiX E49Q in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | 分子名称: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | White, M.D, Leys, D. | 登録日 | 2015-04-14 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis. Nature, 522, 2015
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3W9R
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![BU of 3w9r by Molmil](/molmil-images/mine/3w9r) | Crystal structure of the high-affinity abscisic acid receptor PYL9/RCAR9 bound to ABA | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9, HEXAETHYLENE GLYCOL | 著者 | Nakagawa, M, Hirano, Y, Kagiyama, M, Shibata, N, Hakoshima, T. | 登録日 | 2013-04-13 | 公開日 | 2014-04-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mechanism of high-affinity abscisic acid binding to PYL9/RCAR1. Genes Cells, 19, 2014
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