4GHP
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![BU of 4ghp by Molmil](/molmil-images/mine/4ghp) | Crystal Structure of D48V||A47D mutant of Human GLTP bound with 12:0 monosulfatide | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide | 著者 | Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | 登録日 | 2012-08-08 | 公開日 | 2013-04-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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5W7S
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![BU of 5w7s by Molmil](/molmil-images/mine/5w7s) | Crystal structure of OxaC in complex with sinefungin and meleagrin | 分子名称: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, SINEFUNGIN | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | 登録日 | 2017-06-20 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.948 Å) | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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5W8T
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![BU of 5w8t by Molmil](/molmil-images/mine/5w8t) | Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ... | 著者 | Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.V, Farhat, J.J, Pegan, S.D. | 登録日 | 2017-06-22 | 公開日 | 2017-09-27 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.758 Å) | 主引用文献 | Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus. J. Virol., 91, 2017
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4F97
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![BU of 4f97 by Molmil](/molmil-images/mine/4f97) | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and validoxylamine A 7'-phosphate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | 登録日 | 2012-05-18 | 公開日 | 2012-10-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex. Plos One, 7, 2012
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5UWX
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![BU of 5uwx by Molmil](/molmil-images/mine/5uwx) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P176 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ... | 著者 | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-02-21 | 公開日 | 2017-03-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P176 To Be Published
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5UXE
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![BU of 5uxe by Molmil](/molmil-images/mine/5uxe) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P178 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, INOSINIC ACID, ... | 著者 | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-02-22 | 公開日 | 2017-03-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P178 To Be Published
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5V5Y
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![BU of 5v5y by Molmil](/molmil-images/mine/5v5y) | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH MK1775 | 分子名称: | 1,2-ETHANEDIOL, 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, DIMETHYL SULFOXIDE, ... | 著者 | ZHU, J.-Y, SCHONBRUNN, E. | 登録日 | 2017-03-15 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
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4FSF
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![BU of 4fsf by Molmil](/molmil-images/mine/4fsf) | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | 分子名称: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | 著者 | Han, S. | 登録日 | 2012-06-27 | 公開日 | 2012-10-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections. Bioorg.Med.Chem.Lett., 22, 2012
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4D06
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![BU of 4d06 by Molmil](/molmil-images/mine/4d06) | Bacterial chalcone isomerase complexed with naringenin | 分子名称: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one, CHALCONE ISOMERASE, CHLORIDE ION, ... | 著者 | Thomsen, M, Palm, G.J, Hinrichs, W. | 登録日 | 2014-04-24 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase Acta Crystallogr.,Sect.D, 71, 2015
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5URQ
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![BU of 5urq by Molmil](/molmil-images/mine/5urq) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine, ... | 著者 | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-02-12 | 公開日 | 2017-03-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 To Be Published
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5UZC
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![BU of 5uzc by Molmil](/molmil-images/mine/5uzc) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ... | 著者 | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-02-26 | 公開日 | 2017-03-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P221 To Be Published
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5UQF
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![BU of 5uqf by Molmil](/molmil-images/mine/5uqf) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with IMP and the inhibitor P225 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-02-08 | 公開日 | 2017-03-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Campylobacter jejuni in the complex with IMP and the inhibitor P225 To Be Published
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4FJR
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![BU of 4fjr by Molmil](/molmil-images/mine/4fjr) | Mode of interaction of Merocyanine 540 with HEW Lysozyme | 分子名称: | 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid, CHLORIDE ION, Lysozyme C | 著者 | Mitra, P, Banerjee, M, Basu, S, Biswas, S. | 登録日 | 2012-06-12 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Mode of interaction of Merocyanine 540 dye with lysozyme To be Published
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4FOB
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![BU of 4fob by Molmil](/molmil-images/mine/4fob) | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1 | 分子名称: | ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | 登録日 | 2012-06-20 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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5UYS
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![BU of 5uys by Molmil](/molmil-images/mine/5uys) | Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | 分子名称: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Scott, E.E, Petrunak, E.M. | 登録日 | 2017-02-24 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.392 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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5V84
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![BU of 5v84 by Molmil](/molmil-images/mine/5v84) | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | 分子名称: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | 著者 | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | 登録日 | 2017-03-21 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett, 8, 2017
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4GH0
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![BU of 4gh0 by Molmil](/molmil-images/mine/4gh0) | Crystal structure of D48V mutant of human GLTP bound with 12:0 monosulfatide | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE | 著者 | Samygina, V.R, Cabo-Bilbao, A, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | 登録日 | 2012-08-07 | 公開日 | 2013-04-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4FQT
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![BU of 4fqt by Molmil](/molmil-images/mine/4fqt) | Structure of AgamOBP1 Bound to 6-methyl-5-hepten-2-one | 分子名称: | 6-methylhept-5-en-2-one, Anopheles Gambiae Odorant Binding protein 1, TETRAETHYLENE GLYCOL | 著者 | Murphy, E.J, Booth, J.C. | 登録日 | 2012-06-25 | 公開日 | 2013-01-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Interactions of Anopheles gambiae Odorant-binding Proteins with a Human-derived Repellent: IMPLICATIONS FOR THE MODE OF ACTION OF N,N-DIETHYL-3-METHYLBENZAMIDE (DEET). J.Biol.Chem., 288, 2013
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4EB3
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![BU of 4eb3 by Molmil](/molmil-images/mine/4eb3) | Crystal structure of IspH in complex with iso-HMBPP | 分子名称: | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | 著者 | Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E. | 登録日 | 2012-03-23 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation. J.Am.Chem.Soc., 134, 2012
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4ELM
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![BU of 4elm by Molmil](/molmil-images/mine/4elm) | Crystal structure of the mouse CD1d-lysosulfatide-Hy19.3 TCR complex | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 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 | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | 登録日 | 2012-04-11 | 公開日 | 2012-07-25 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.48 Å) | 主引用文献 | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens. Nat.Immunol., 13, 2012
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4GXM
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![BU of 4gxm by Molmil](/molmil-images/mine/4gxm) | |
4H4I
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![BU of 4h4i by Molmil](/molmil-images/mine/4h4i) | |
4GVT
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![BU of 4gvt by Molmil](/molmil-images/mine/4gvt) | Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide (hexagonal form) | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide | 著者 | Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L. | 登録日 | 2012-08-31 | 公開日 | 2013-04-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4GXG
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![BU of 4gxg by Molmil](/molmil-images/mine/4gxg) | Crystal structure of human GLTP bound with 12:0 monosulfatide (orthorhombic form; four subunits in asymmetric unit) | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide | 著者 | Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L. | 登録日 | 2012-09-04 | 公開日 | 2013-04-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4GY9
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![BU of 4gy9 by Molmil](/molmil-images/mine/4gy9) | Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-isopentenyladenine (2iP) | 分子名称: | MALONATE ION, MtN13 protein, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE, ... | 著者 | Ruszkowski, M, Sikorski, M, Jaskolski, M. | 登録日 | 2012-09-05 | 公開日 | 2013-09-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | The landscape of cytokinin binding by a plant nodulin. Acta Crystallogr.,Sect.D, 69, 2013
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