5AHA
 
 | | 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-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-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 | 2015-02-05 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 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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5AH7
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | 分子名称: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | 登録日 | 2015-02-05 | | 公開日 | 2015-02-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 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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5AH6
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | 分子名称: | (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[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 | 2015-02-05 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 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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5DK6
 | | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION | | 分子名称: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE | | 著者 | Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2015-09-03 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
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7QIT
 | | CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | 分子名称: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | 著者 | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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7QIS
 | | CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | 分子名称: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | 著者 | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | 登録日 | 2021-12-15 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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7BER
 | | SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly) | | 分子名称: | Myeloid differentiation primary response protein MyD88 | | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | 登録日 | 2020-12-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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5L4U
 | | Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 2-fluoro-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4Y
 | | Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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7BEQ
 | | MicroED structure of the MyD88 TIR domain higher-order assembly | | 分子名称: | Myeloid differentiation primary response protein MyD88 | | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | 登録日 | 2020-12-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3 Å) | | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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5I9Y
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with dasatinib | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.228 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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5AHC
 | | 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-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)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 | 2015-02-05 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 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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4YTB
 | | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) in complex with dipeptide Asp-Gln. | | 分子名称: | ASPARTIC ACID, AZIDE ION, CHLORIDE ION, ... | | 著者 | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | | 登録日 | 2015-03-17 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
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5L4T
 | | Crystal structure of FimH lectin domain in complex with 2-Deoxy-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 2-deoxy-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | 登録日 | 2016-08-09 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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5JEL
 | | Phosphorylated TRIF in complex with IRF-3 | | 分子名称: | Interferon regulatory factor 3, Phosphorylated TRIF peptide | | 著者 | Zhao, B, Li, P. | | 登録日 | 2016-04-18 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JEO
 | | Phosphorylated Rotavirus NSP1 in complex with IRF-3 | | 分子名称: | Interferon regulatory factor 3, PHOSPHATE ION, Rotavirus NSP1 peptide | | 著者 | Zhao, B, Li, P. | | 登録日 | 2016-04-18 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D7D
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | 登録日 | 2015-08-13 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5LPX
 | | Crystal structure of PKC phosphorylation-mimicking mutant (S26E) Annexin A2 | | 分子名称: | Annexin A2, CALCIUM ION, GLYCEROL | | 著者 | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | | 登録日 | 2016-08-15 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
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4ZQ8
 | | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 | | 分子名称: | Isoprenoid Synthase | | 著者 | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2015-05-08 | | 公開日 | 2015-07-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129
To be published
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7P65
 | | Progressive supranuclear palsy tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | 登録日 | 2021-07-15 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P66
 | | Globular glial tauopathy type 1 tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | 登録日 | 2021-07-15 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6C
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | 登録日 | 2021-07-15 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P68
 | | Globular glial tauopathy type 3 tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | 登録日 | 2021-07-15 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure-based classification of tauopathies.
Nature, 598, 2021
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5LQ2
 | | Crystal structure of Tyr24 phosphorylated Annexin A2 at 3.4 A resolution | | 分子名称: | Annexin A2, CALCIUM ION | | 著者 | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | | 登録日 | 2016-08-15 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
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