6RAI
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![BU of 6rai by Molmil](/molmil-images/mine/6rai) | Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ... | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAL
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![BU of 6ral by Molmil](/molmil-images/mine/6ral) | Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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6RAF
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![BU of 6raf by Molmil](/molmil-images/mine/6raf) | Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | 著者 | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | 登録日 | 2019-04-06 | 公開日 | 2019-07-31 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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4WB3
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![BU of 4wb3 by Molmil](/molmil-images/mine/4wb3) | Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin | 分子名称: | ACETATE ION, CALCIUM ION, Complement C5, ... | 著者 | Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. | 登録日 | 2014-09-02 | 公開日 | 2015-05-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer. Nat Commun, 6, 2015
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4WB2
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![BU of 4wb2 by Molmil](/molmil-images/mine/4wb2) | Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin | 分子名称: | ACETATE ION, CALCIUM ION, Complement C5, ... | 著者 | Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R. | 登録日 | 2014-09-02 | 公開日 | 2015-05-06 | 最終更新日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer. Nat Commun, 6, 2015
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7RGF
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![BU of 7rgf by Molmil](/molmil-images/mine/7rgf) | Protocadherin gammaC4 EC1-4 crystal structure disrupted trans interface | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L. | 登録日 | 2021-07-15 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition. Elife, 11, 2022
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3PCQ
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![BU of 3pcq by Molmil](/molmil-images/mine/3pcq) | Femtosecond X-ray protein Nanocrystallography | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | 著者 | Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H. | 登録日 | 2010-10-21 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (8.984 Å) | 主引用文献 | Femtosecond X-ray protein nanocrystallography. Nature, 470, 2011
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2MUS
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![BU of 2mus by Molmil](/molmil-images/mine/2mus) | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | 分子名称: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | 著者 | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | 登録日 | 2014-09-16 | 公開日 | 2017-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
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7A5Y
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![BU of 7a5y by Molmil](/molmil-images/mine/7a5y) | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg | 分子名称: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A. | 登録日 | 2020-08-24 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers. Biochemistry, 60, 2021
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2JNR
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![BU of 2jnr by Molmil](/molmil-images/mine/2jnr) | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | 分子名称: | ENV polyprotein, VIR165 | 著者 | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | 登録日 | 2007-02-01 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-20 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide. Cell(Cambridge,Mass.), 129, 2007
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6ZTB
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![BU of 6ztb by Molmil](/molmil-images/mine/6ztb) | Crystal Structure of human P-Cadherin EC1_EC2 | 分子名称: | CALCIUM ION, Cadherin-3, SODIUM ION | 著者 | Rondeau, J.M, Lehmann, S. | 登録日 | 2020-07-17 | 公開日 | 2021-05-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies. Mol.Cancer Ther., 20, 2021
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6ZTF
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![BU of 6ztf by Molmil](/molmil-images/mine/6ztf) | |
6ZTR
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![BU of 6ztr by Molmil](/molmil-images/mine/6ztr) | Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324) | 分子名称: | CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ... | 著者 | Rondeau, J.M, Lehmann, S. | 登録日 | 2020-07-20 | 公開日 | 2021-05-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies. Mol.Cancer Ther., 20, 2021
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4WTY
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![BU of 4wty by Molmil](/molmil-images/mine/4wty) | Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate | 分子名称: | CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... | 著者 | Bruder, L.M, Mosimann, S.C. | 登録日 | 2014-10-30 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate To Be Published
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2LBU
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![BU of 2lbu by Molmil](/molmil-images/mine/2lbu) | HADDOCK calculated model of Congo red bound to the HET-s amyloid | 分子名称: | Small s protein, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | 著者 | Schutz, A.K, Soragni, A, Hornemann, S, Aguzzi, A, Ernst, M, Bockmann, A, Meier, B.H. | 登録日 | 2011-04-07 | 公開日 | 2011-06-01 | 最終更新日 | 2024-05-01 | 実験手法 | SOLID-STATE NMR | 主引用文献 | The Amyloid-Congo Red Interface at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 2011
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6ZWT
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![BU of 6zwt by Molmil](/molmil-images/mine/6zwt) | Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A. | 登録日 | 2020-07-28 | 公開日 | 2021-08-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis. Virulence, 13, 2022
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4P86
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![BU of 4p86 by Molmil](/molmil-images/mine/4p86) | Structure of PyrR protein from Bacillus subtilis with GMP | 分子名称: | Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-30 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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3E7X
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![BU of 3e7x by Molmil](/molmil-images/mine/3e7x) | Crystal structure of DLTA: implications for the reaction mechanism of non-ribosomal peptide synthetase (NRPS) adenylation domains | 分子名称: | ADENOSINE MONOPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1 | 著者 | Yonus, H, Neumann, P, Zimmermann, S, May, J.J, Marahiel, M.A, Stubbs, M.T. | 登録日 | 2008-08-19 | 公開日 | 2008-09-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains J.Biol.Chem., 283, 2008
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4P84
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![BU of 4p84 by Molmil](/molmil-images/mine/4p84) | Structure of engineered PyrR protein (VIOLET PyrR) | 分子名称: | Bifunctional protein PyrR, GLYCEROL, SULFATE ION | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-30 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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7AO7
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![BU of 7ao7 by Molmil](/molmil-images/mine/7ao7) | Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol | 分子名称: | Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G. | 登録日 | 2020-10-13 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid Acs Catalysis, 11, 2021
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4P81
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![BU of 4p81 by Molmil](/molmil-images/mine/4p81) | Structure of ancestral PyrR protein (AncORANGEPyrR) | 分子名称: | Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-29 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P82
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![BU of 4p82 by Molmil](/molmil-images/mine/4p82) | Structure of PyrR protein from Bacillus subtilis | 分子名称: | Bifunctional protein PyrR, SULFATE ION | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-30 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P3K
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![BU of 4p3k by Molmil](/molmil-images/mine/4p3k) | Structure of ancestral PyrR protein (PLUMPyrR) | 分子名称: | Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ... | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-08 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P80
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![BU of 4p80 by Molmil](/molmil-images/mine/4p80) | Structure of ancestral PyrR protein (AncGREENPyrR) | 分子名称: | Ancestral PyrR protein (Green), SULFATE ION | 著者 | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | 登録日 | 2014-03-29 | 公開日 | 2014-12-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4WU2
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![BU of 4wu2 by Molmil](/molmil-images/mine/4wu2) | Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate | 分子名称: | CHLORIDE ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, GLYCEROL, ... | 著者 | Bruder, L.M, Mosimann, S.C. | 登録日 | 2014-10-30 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate To Be Published
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