5KSJ
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![BU of 5ksj by Molmil](/molmil-images/mine/5ksj) | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | 登録日 | 2016-07-08 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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5NTI
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5L8W
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![BU of 5l8w by Molmil](/molmil-images/mine/5l8w) | Structure of USP12-UB-PRG/UAF1 | 分子名称: | GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 12, ... | 著者 | Dharadhar, S, Sixma, T. | 登録日 | 2016-06-08 | 公開日 | 2016-09-28 | 最終更新日 | 2016-11-30 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme. J.Struct.Biol., 196, 2016
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5NTN
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![BU of 5ntn by Molmil](/molmil-images/mine/5ntn) | Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds | 分子名称: | (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1 | 著者 | Kallen, J. | 登録日 | 2017-04-28 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds. ChemMedChem, 12, 2017
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5KV9
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![BU of 5kv9 by Molmil](/molmil-images/mine/5kv9) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | 分子名称: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | 登録日 | 2016-07-13 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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6UL0
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![BU of 6ul0 by Molmil](/molmil-images/mine/6ul0) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | 分子名称: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UD3
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![BU of 6ud3 by Molmil](/molmil-images/mine/6ud3) | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/PTX-bound open/blocked conformation | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | 著者 | Kumar, A, Basak, S, Chakrapani, S. | 登録日 | 2019-09-18 | 公開日 | 2020-07-29 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun, 11, 2020
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6TXX
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![BU of 6txx by Molmil](/molmil-images/mine/6txx) | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2 | 分子名称: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Fiegen, D, Draxler, S.W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020
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5KSI
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![BU of 5ksi by Molmil](/molmil-images/mine/5ksi) | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | 分子名称: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | 登録日 | 2016-07-08 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep, 7, 2017
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5KWY
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![BU of 5kwy by Molmil](/molmil-images/mine/5kwy) | Structure of human NPC1 middle lumenal domain bound to NPC2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Epididymal secretory protein E1, ... | 著者 | Li, X. | 登録日 | 2016-07-19 | 公開日 | 2016-08-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | 主引用文献 | Clues to the mechanism of cholesterol transfer from the structure of NPC1 middle lumenal domain bound to NPC2. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LCJ
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5LNU
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![BU of 5lnu by Molmil](/molmil-images/mine/5lnu) | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex | 分子名称: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | 著者 | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | 登録日 | 2016-08-06 | 公開日 | 2017-01-18 | 最終更新日 | 2017-02-22 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5M2F
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![BU of 5m2f by Molmil](/molmil-images/mine/5m2f) | Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008 | 分子名称: | 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ... | 著者 | Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A. | 登録日 | 2016-10-12 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | 主引用文献 | Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008. Chem. Biol. Interact., 276, 2017
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5J9Y
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![BU of 5j9y by Molmil](/molmil-images/mine/5j9y) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | 分子名称: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2016-09-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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5MRL
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![BU of 5mrl by Molmil](/molmil-images/mine/5mrl) | Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA) | 分子名称: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Binda, C, De Deurwaerdere, P, Corne, R, Leone, C, Valeri, A, Valoti, M, Ramsay, R.R, Fall, Y, Marco-Contelles, J. | 登録日 | 2016-12-23 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine. ACS Chem Neurosci, 8, 2017
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5MMX
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![BU of 5mmx by Molmil](/molmil-images/mine/5mmx) | ABA RECEPTOR FROM CITRUS, CSPYL1 | 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, CSPYL1_ABA | 著者 | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M. | 登録日 | 2016-12-12 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.882 Å) | 主引用文献 | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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6T6X
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![BU of 6t6x by Molmil](/molmil-images/mine/6t6x) | Structure of the Bottromycin epimerase BotH in complex with substrate | 分子名称: | (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH | 著者 | Koehnke, J, Sikandar, A. | 登録日 | 2019-10-20 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes. Nat.Chem.Biol., 16, 2020
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5LNW
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![BU of 5lnw by Molmil](/molmil-images/mine/5lnw) | Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex | 分子名称: | 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | 著者 | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | 登録日 | 2016-08-06 | 公開日 | 2017-01-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5MOB
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![BU of 5mob by Molmil](/molmil-images/mine/5mob) | ABA RECEPTOR FROM TOMATO, SlPYL1 | 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, SULFATE ION, SlPYL1_ABA | 著者 | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | 登録日 | 2016-12-14 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.669 Å) | 主引用文献 | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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6UZ3
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![BU of 6uz3 by Molmil](/molmil-images/mine/6uz3) | Cardiac sodium channel | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | 登録日 | 2019-11-14 | 公開日 | 2020-01-01 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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5OWD
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![BU of 5owd by Molmil](/molmil-images/mine/5owd) | Vitamin D receptor complex | 分子名称: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N, Li, W. | 登録日 | 2017-08-31 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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5OR2
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![BU of 5or2 by Molmil](/molmil-images/mine/5or2) | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | 分子名称: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | 著者 | Freigang, J. | 登録日 | 2017-08-15 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses Eur.J.Org.Chem., 2018
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5LNV
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![BU of 5lnv by Molmil](/molmil-images/mine/5lnv) | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals | 分子名称: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | 著者 | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | 登録日 | 2016-08-06 | 公開日 | 2017-01-18 | 最終更新日 | 2018-09-19 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5OHK
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![BU of 5ohk by Molmil](/molmil-images/mine/5ohk) | Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (high resolution) | 分子名称: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ... | 著者 | Gersch, M, Komander, D. | 登録日 | 2017-07-17 | 公開日 | 2017-09-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Mechanism and regulation of the Lys6-selective deubiquitinase USP30. Nat. Struct. Mol. Biol., 24, 2017
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5JO2
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![BU of 5jo2 by Molmil](/molmil-images/mine/5jo2) | Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1 | 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 PYL3, MAGNESIUM ION, ... | 著者 | Weng, J.K, Noel, J.P. | 登録日 | 2016-05-01 | 公開日 | 2016-09-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity. Cell, 166, 2016
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