1RYC
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![BU of 1ryc by Molmil](/molmil-images/mine/1ryc) | CYTOCHROME C PEROXIDASE W191G FROM SACCHAROMYCES CEREVISIAE | 分子名称: | BENZIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Musah, R, Mcree, D.E, Goodin, D.B. | 登録日 | 1996-05-10 | 公開日 | 1996-11-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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1CMU
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![BU of 1cmu by Molmil](/molmil-images/mine/1cmu) | THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-04-10 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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1CMT
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![BU of 1cmt by Molmil](/molmil-images/mine/1cmt) | THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-04-11 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase. Protein Sci., 4, 1995
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2ER8
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![BU of 2er8 by Molmil](/molmil-images/mine/2er8) | |
1CMQ
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![BU of 1cmq by Molmil](/molmil-images/mine/1cmq) | SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B. | 登録日 | 1993-11-23 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase. Biochemistry, 33, 1994
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2ERE
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![BU of 2ere by Molmil](/molmil-images/mine/2ere) | |
2ERG
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![BU of 2erg by Molmil](/molmil-images/mine/2erg) | |
1CMP
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![BU of 1cmp by Molmil](/molmil-images/mine/1cmp) | SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE | 分子名称: | 2,3-DIMETHYLIMIDAZOLIUM ION, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Fitzgerald, M.M, Mcree, D.E, Churchill, M.J, Goodin, D.B. | 登録日 | 1993-11-23 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small molecule binding to an artificially created cavity at the active site of cytochrome c peroxidase. Biochemistry, 33, 1994
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6SLD
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![BU of 6sld by Molmil](/molmil-images/mine/6sld) | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | 分子名称: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | 著者 | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | 登録日 | 2019-08-19 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol To Be Published
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3COQ
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![BU of 3coq by Molmil](/molmil-images/mine/3coq) | Structural Basis for Dimerization in DNA Recognition by Gal4 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ... | 著者 | Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W. | 登録日 | 2008-03-29 | 公開日 | 2008-07-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for dimerization in DNA recognition by gal4. Structure, 16, 2008
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1WFC
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![BU of 1wfc by Molmil](/molmil-images/mine/1wfc) | STRUCTURE OF APO, UNPHOSPHORYLATED, P38 MITOGEN ACTIVATED PROTEIN KINASE P38 (P38 MAP KINASE) THE MAMMALIAN HOMOLOGUE OF THE YEAST HOG1 PROTEIN | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE P38 | 著者 | Wilson, K.P, Fitzgibbon, M.J, Caron, P.R, Griffith, J.P, Chen, W, Mccaffrey, P.G, Chambers, S.P, Su, M.S.-S. | 登録日 | 1996-09-13 | 公開日 | 1997-09-19 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of p38 mitogen-activated protein kinase. J.Biol.Chem., 271, 1996
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2GEQ
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![BU of 2geq by Molmil](/molmil-images/mine/2geq) | Crystal Structure of a p53 Core Dimer Bound to DNA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*CP*GP*TP*GP*AP*GP*CP*AP*TP*GP*CP*TP*CP*AP*C)-3', Cellular tumor antigen p53, ... | 著者 | Ho, W.C, Fitzgerald, M.X, Marmorstein, R. | 登録日 | 2006-03-20 | 公開日 | 2006-05-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the p53 Core Domain Dimer Bound to DNA. J.Biol.Chem., 281, 2006
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5A0A
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![BU of 5a0a by Molmil](/molmil-images/mine/5a0a) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3CCX
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![BU of 3ccx by Molmil](/molmil-images/mine/3ccx) | ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-03-17 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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4CCX
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![BU of 4ccx by Molmil](/molmil-images/mine/4ccx) | ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | 分子名称: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1995-03-17 | 公開日 | 1995-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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1TCO
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![BU of 1tco by Molmil](/molmil-images/mine/1tco) | TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS) | 分子名称: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, FE (III) ION, ... | 著者 | Griffith, J.P, Kim, J.L, Kim, E.E, Sintchak, M.D, Thomson, J.A, Fitzgibbon, M.J, Fleming, M.A, Caron, P.R, Hsiao, K, Navia, M.A. | 登録日 | 1996-08-21 | 公開日 | 1997-02-12 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex. Cell(Cambridge,Mass.), 82, 1995
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2WQB
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![BU of 2wqb by Molmil](/molmil-images/mine/2wqb) | Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor | 分子名称: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR | 著者 | Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A. | 登録日 | 2009-08-18 | 公開日 | 2009-11-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo. Bioorg.Med.Chem.Lett., 19, 2009
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1KWP
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![BU of 1kwp by Molmil](/molmil-images/mine/1kwp) | Crystal Structure of MAPKAP2 | 分子名称: | MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION | 著者 | Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A. | 登録日 | 2002-01-30 | 公開日 | 2002-09-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That
Couples Kinase Activation with Nuclear Export J.Biol.Chem., 277, 2002
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3R04
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![BU of 3r04 by Molmil](/molmil-images/mine/3r04) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | 分子名称: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | 著者 | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | 登録日 | 2011-03-07 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3R02
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![BU of 3r02 by Molmil](/molmil-images/mine/3r02) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | 分子名称: | 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | 著者 | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | 登録日 | 2011-03-07 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1AEE
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![BU of 1aee by Molmil](/molmil-images/mine/1aee) | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (ANILINE) | 分子名称: | ANILINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1997-02-24 | 公開日 | 1997-09-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein. J.Mol.Biol., 315, 2002
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1AEU
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![BU of 1aeu by Molmil](/molmil-images/mine/1aeu) | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | 分子名称: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1997-02-25 | 公開日 | 1997-09-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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