8C15
 
 | | Aurora A kinase in complex with TPX2-inhibitor 3 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents
To be published
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8C1M
 | | Aurora A kinase in complex with TPX2-inhibitor 2 | | 分子名称: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1E
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | 分子名称: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.798 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1I
 | | Aurora A kinase in complex with TPX2-inhibitor 10 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1F
 | | Aurora A kinase in complex with TPX2-inhibitor 6 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1K
 | | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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8C1G
 | | Aurora A kinase in complex with TPX2-inhibitor 7 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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5C0U
 | | Crystal structure of the copper-bound form of MerB mutant D99S | | 分子名称: | Alkylmercury lyase, BROMIDE ION, COPPER (II) ION | | 著者 | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2015-06-12 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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5C23
 | | Parkin (S65DUblR0RBR) | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | 著者 | Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | 登録日 | 2015-06-15 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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1IG3
 | | Mouse Thiamin Pyrophosphokinase Complexed with Thiamin | | 分子名称: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, SULFATE ION, thiamin pyrophosphokinase | | 著者 | Timm, D.E, Liu, J, Baker, L.-J, Harris, R.A. | | 登録日 | 2001-04-16 | | 公開日 | 2001-04-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of thiamin pyrophosphokinase.
J.Mol.Biol., 310, 2001
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1CY5
 | | CRYSTAL STRUCTURE OF THE APAF-1 CARD | | 分子名称: | BETA-MERCAPTOETHANOL, PROTEIN (APOPTOTIC PROTEASE ACTIVATING FACTOR 1), ZINC ION | | 著者 | Vaughn, D.E, Joshua-Tor, L. | | 登録日 | 1999-08-31 | | 公開日 | 1999-09-13 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of Apaf-1 caspase recruitment domain: an alpha-helical Greek key fold for apoptotic signaling.
J.Mol.Biol., 293, 1999
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1DB6
 | | SOLUTION STRUCTURE OF THE DNA APTAMER 5'-CGACCAACGTGTCGCCTGGTCG-3' COMPLEXED WITH ARGININAMIDE | | 分子名称: | ARGININEAMIDE, DNA | | 著者 | Robertson, S.A, Harada, K, Frankel, A.D, Wemmer, D.E. | | 登録日 | 1999-11-02 | | 公開日 | 2000-02-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure determination and binding kinetics of a DNA aptamer-argininamide complex.
Biochemistry, 39, 2000
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5C0T
 | | Crystal structure of the mercury-bound form of MerB mutant D99S | | 分子名称: | Alkylmercury lyase, BROMIDE ION, MERCURY (II) ION | | 著者 | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | 登録日 | 2015-06-12 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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1D9V
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5C1Z
 | | Parkin (UblR0RBR) | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | 著者 | kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | 登録日 | 2015-06-15 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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1DGP
 | | ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX | | 分子名称: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, ARISTOLOCHENE SYNTHASE | | 著者 | Caruthers, J.M, Kang, I, Cane, D.E, Christianson, D.W. | | 登録日 | 1999-11-24 | | 公開日 | 2001-02-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti.
J.Biol.Chem., 275, 2000
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1DK9
 | | SOLUTION STRUCTURE ANALYSIS OF THE DNA DUPLEX D(CATGAGTAC)D(GTACTCATG) | | 分子名称: | 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*TP*CP*AP*TP*GP*)-3' | | 著者 | Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C. | | 登録日 | 1999-12-06 | | 公開日 | 1999-12-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control.
Nucleic Acids Res., 28, 2000
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1INI
 | | CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS, COMPLEXED WITH CDP-ME AND MG2+ | | 分子名称: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETASE, MAGNESIUM ION | | 著者 | Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, A, Cane, D.E, Noel, J.P. | | 登録日 | 2001-05-14 | | 公開日 | 2001-11-14 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis.
Nat.Struct.Biol., 8, 2001
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1DF8
 | | S45A MUTANT OF STREPTAVIDIN IN COMPLEX WITH BIOTIN | | 分子名称: | BIOTIN, PROTEIN (STREPTAVIDIN) | | 著者 | Hyre, D.E, Le Trong, I, Freitag, S, Stenkamp, R.E, Stayton, P.S. | | 登録日 | 1999-11-18 | | 公開日 | 2000-09-20 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Ser45 plays an important role in managing both the equilibrium and transition state energetics of the streptavidin-biotin system.
Protein Sci., 9, 2000
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1INJ
 | | CRYSTAL STRUCTURE OF THE APO FORM OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS | | 分子名称: | 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETASE, CALCIUM ION | | 著者 | Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, A, Cane, D.E, Noel, J.P. | | 登録日 | 2001-05-14 | | 公開日 | 2001-07-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis.
Nat.Struct.Biol., 8, 2001
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8DDG
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5CGN
 | | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 | | 分子名称: | CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin | | 著者 | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | | 登録日 | 2015-07-09 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
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8DDH
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8DDF
 | | Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet | | 分子名称: | 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE | | 著者 | Sawaya, M.R, Hazari, A, Eisenberg, D.E. | | 登録日 | 2022-06-18 | | 公開日 | 2022-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
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1DZ4
 | | ferric p450cam from pseudomonas putida | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | | 著者 | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | | 登録日 | 2000-02-16 | | 公開日 | 2000-07-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
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