8GR6
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![BU of 8gr6 by Molmil](/molmil-images/mine/8gr6) | Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, Sortase-like protein, ... | 著者 | Yadav, S, Parijat, P, Krishnan, V. | 登録日 | 2022-09-01 | 公開日 | 2023-06-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation. Int.J.Biol.Macromol., 243, 2023
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5PME
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![BU of 5pme by Molmil](/molmil-images/mine/5pme) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 172) | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PNU
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![BU of 5pnu by Molmil](/molmil-images/mine/5pnu) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 223) | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5PMO
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![BU of 5pmo by Molmil](/molmil-images/mine/5pmo) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 182) | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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3OWX
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![BU of 3owx by Molmil](/molmil-images/mine/3owx) | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | 分子名称: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | 登録日 | 2010-09-20 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors. Protein Sci., 20, 2011
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5JAC
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![BU of 5jac by Molmil](/molmil-images/mine/5jac) | Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | 著者 | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | 登録日 | 2016-04-12 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry, 22, 2016
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5PND
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![BU of 5pnd by Molmil](/molmil-images/mine/5pnd) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 207) | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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5D8P
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![BU of 5d8p by Molmil](/molmil-images/mine/5d8p) | 2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | 分子名称: | ACETATE ION, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | 登録日 | 2015-08-17 | 公開日 | 2015-09-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5PNH
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![BU of 5pnh by Molmil](/molmil-images/mine/5pnh) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 211) | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-07 | 公開日 | 2017-03-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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4N24
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![BU of 4n24 by Molmil](/molmil-images/mine/4n24) | Crystal structure of Protein Arginine Deiminase 2 (100 uM Ca2+) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-04 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.968 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2M
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![BU of 4n2m by Molmil](/molmil-images/mine/4n2m) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-05 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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1S4H
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![BU of 1s4h by Molmil](/molmil-images/mine/1s4h) | NMR structure of cross-reactive peptides from L. braziliensis | 分子名称: | 60S acidic ribosomal protein P2 | 著者 | Soares, M.R, Bisch, P.M, Campos de Carvalho, A.C, Valente, A.P, Almeida, F.C.L. | 登録日 | 2004-01-16 | 公開日 | 2004-03-16 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Correlation between conformation and antibody binding: NMR structure of cross-reactive peptides from T. cruzi, human and L. braziliensis Febs Lett., 560, 2004
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5OP4
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![BU of 5op4 by Molmil](/molmil-images/mine/5op4) | Structure of CHK1 10-pt. mutant complex with aminopyrimidine LRRK2 inhibitor | 分子名称: | Serine/threonine-protein kinase Chk1, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-09 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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5OPS
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![BU of 5ops by Molmil](/molmil-images/mine/5ops) | Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor | 分子名称: | 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | 登録日 | 2017-08-10 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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5DF5
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![BU of 5df5 by Molmil](/molmil-images/mine/5df5) | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution. | 分子名称: | Cytochrome c, somatic, HEME C, ... | 著者 | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | 登録日 | 2015-08-26 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.301 Å) | 主引用文献 | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution. To Be Published
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8GUU
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![BU of 8guu by Molmil](/molmil-images/mine/8guu) | |
2V96
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![BU of 2v96 by Molmil](/molmil-images/mine/2v96) | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K | 分子名称: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | 著者 | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | 登録日 | 2007-08-22 | 公開日 | 2007-11-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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1BX8
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![BU of 1bx8 by Molmil](/molmil-images/mine/1bx8) | HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.4 ANGSTROMS | 分子名称: | HIRUSTASIN, SULFATE ION | 著者 | Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. | 登録日 | 1998-10-14 | 公開日 | 1999-04-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors. Structure Fold.Des., 7, 1999
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2VB2
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![BU of 2vb2 by Molmil](/molmil-images/mine/2vb2) | Crystal structure of Cu(I)CusF | 分子名称: | CATION EFFLUX SYSTEM PROTEIN CUSF, COPPER (II) ION, SULFATE ION | 著者 | Xue, Y, Davis, A.V, Balakrishnan, G, Stasser, J.P, Staehlin, B.M, Focia, P, Spiro, T.G, Penner-Hahn, J.E, O'Halloran, T.V. | 登録日 | 2007-09-06 | 公開日 | 2007-12-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cu(I) Recognition Via Cation-Pi and Methionine Interactions in Cusf. Nat.Chem.Biol., 4, 2008
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4EA9
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![BU of 4ea9 by Molmil](/molmil-images/mine/4ea9) | X-ray structure of GDP-perosamine N-acetyltransferase in complex with transition state analog at 0.9 Angstrom resolution | 分子名称: | CHLORIDE ION, GDP-N-acetylperosamine-coenzyme A, Perosamine N-acetyltransferase | 著者 | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | 登録日 | 2012-03-22 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
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2C8S
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![BU of 2c8s by Molmil](/molmil-images/mine/2c8s) | CYTOCHROME CL FROM METHYLOBACTERIUM EXTORQUENS | 分子名称: | CALCIUM ION, CYTOCHROME C-L, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood J, S.P, Cooper, B, Anthony, C. | 登録日 | 2005-12-06 | 公開日 | 2005-12-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The 1.6A X-Ray Structure of the Unusual C-Type Cytochrome, Cytochrome Cl, from the Methylotrophic Bacterium Methylobacterium Extorquens. J.Mol.Biol., 357, 2006
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2VIL
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3P5B
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![BU of 3p5b by Molmil](/molmil-images/mine/3p5b) | The structure of the LDLR/PCSK9 complex reveals the receptor in an extended conformation | 分子名称: | CALCIUM ION, Low density lipoprotein receptor variant, Proprotein convertase subtilisin/kexin type 9 | 著者 | Lo Surdo, P, Bottomley, M.J, Calzetta, A, Settembre, E.C, Cirillo, A, Pandit, S, Ni, Y, Hubbard, B, Sitlani, A, Carfi, A. | 登録日 | 2010-10-08 | 公開日 | 2011-10-26 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Mechanistic implications for LDL receptor degradation from the PCSK9/LDLR structure at neutral pH. Embo Rep., 12, 2011
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4ECH
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![BU of 4ech by Molmil](/molmil-images/mine/4ech) | Yeast Polyamine Oxidase FMS1, H67Q Mutant | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Polyamine oxidase FMS1 | 著者 | Taylor, A.B, Adachi, M.S, Hart, P.J, Fitzpatrick, P.F. | 登録日 | 2012-03-26 | 公開日 | 2012-06-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mechanistic and structural analyses of the role of his67 in the yeast polyamine oxidase fms1. Biochemistry, 51, 2012
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1S0P
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![BU of 1s0p by Molmil](/molmil-images/mine/1s0p) | Structure of the N-Terminal Domain of the Adenylyl Cyclase-Associated Protein (CAP) from Dictyostelium discoideum. | 分子名称: | Adenylyl cyclase-associated protein, MAGNESIUM ION | 著者 | Ksiazek, D, Brandstetter, H, Israel, L, Bourenkov, G.P, Katchalova, G, Janssen, K.P, Bartunik, H.D, Noegel, A.A, Schleicher, M, Holak, T.A. | 登録日 | 2004-01-01 | 公開日 | 2004-01-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | STRUCTURE OF THE N-TERMINAL DOMAIN OF THE ADENYLYL
CYCLASE-ASSOCIATED PROTEIN (CAP) FROM DICTYOSTELIUM DISCOIDEUM Structure, 11, 2003
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