1I2V
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![BU of 1i2v by Molmil](/molmil-images/mine/1i2v) | NMR SOLUTION STRUCTURES OF AN ANTIFUNGAL AND ANTIBACTERIAL MUTANT OF HELIOMICIN | 分子名称: | DEFENSIN HELIOMICIN | 著者 | Lamberty, M, Caille, A, Landon, C, Tassin-Moindrot, S, Hetru, C, Bulet, P, Vovelle, F. | 登録日 | 2001-02-12 | 公開日 | 2002-02-12 | 最終更新日 | 2021-10-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structures of the antifungal heliomicin and a selected variant with both antibacterial and antifungal activities. Biochemistry, 40, 2001
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2X2C
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![BU of 2x2c by Molmil](/molmil-images/mine/2x2c) | acetyl-CypA:cyclosporine complex | 分子名称: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | 登録日 | 2010-01-12 | 公開日 | 2010-03-23 | 最終更新日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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3PEQ
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![BU of 3peq by Molmil](/molmil-images/mine/3peq) | PPARd complexed with a phenoxyacetic acid partial agonist | 分子名称: | IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ... | 著者 | Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V. | 登録日 | 2010-10-27 | 公開日 | 2011-10-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy Bioorg.Med.Chem.Lett., 21, 2011
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2ZVX
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![BU of 2zvx by Molmil](/molmil-images/mine/2zvx) | Structure of a BPTI-[5,55] variant containing Gly/Val at the 14/38th positions | 分子名称: | Pancreatic trypsin inhibitor, SULFATE ION | 著者 | Islam, M.M, Sohya, S, Noguchi, K, Yohda, M, Kuroda, Y. | 登録日 | 2008-11-24 | 公開日 | 2009-10-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Thermodynamic and structural analysis of highly stabilized BPTIs by single and double mutations Proteins, 77, 2009
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2ZJX
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![BU of 2zjx by Molmil](/molmil-images/mine/2zjx) | Bovine pancreatic trypsin inhibitor (BPTI) containing only the [5,55] disulfide bond | 分子名称: | Pancreatic trypsin inhibitor, SULFATE ION | 著者 | Islam, M.M, Sohya, S, Noguchi, K, Yohda, M, Kuroda, Y. | 登録日 | 2008-03-11 | 公開日 | 2008-10-21 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | Crystal structure of an extensively simplified variant of bovine pancreatic trypsin inhibitor in which over one-third of the residues are alanines Proc.Natl.Acad.Sci.Usa, 105, 2008
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2X25
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![BU of 2x25 by Molmil](/molmil-images/mine/2x25) | Free acetyl-CypA orthorhombic form | 分子名称: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | 登録日 | 2010-01-11 | 公開日 | 2010-03-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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2X2A
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![BU of 2x2a by Molmil](/molmil-images/mine/2x2a) | Free acetyl-CypA trigonal form | 分子名称: | GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, SULFATE ION | 著者 | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | 登録日 | 2010-01-12 | 公開日 | 2010-03-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization. Nat.Chem.Biol., 6, 2010
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2X2D
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![BU of 2x2d by Molmil](/molmil-images/mine/2x2d) | acetyl-CypA:HIV-1 N-term capsid domain complex | 分子名称: | CAPSID PROTEIN P24, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | 登録日 | 2010-01-12 | 公開日 | 2010-03-23 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation Nat.Chem.Biol., 6, 2010
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3SNL
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![BU of 3snl by Molmil](/molmil-images/mine/3snl) | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | 分子名称: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | 著者 | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | 登録日 | 2011-06-29 | 公開日 | 2011-10-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors. J.Med.Chem., 54, 2011
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3P95
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3P92
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2FDP
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![BU of 2fdp by Molmil](/molmil-images/mine/2fdp) | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | 分子名称: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | 著者 | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | 登録日 | 2005-12-14 | 公開日 | 2006-01-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. J.Med.Chem., 49, 2006
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2ZJN
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![BU of 2zjn by Molmil](/molmil-images/mine/2zjn) | |
2ZJK
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![BU of 2zjk by Molmil](/molmil-images/mine/2zjk) | |
2ZJH
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2ZJJ
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2ZJL
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![BU of 2zjl by Molmil](/molmil-images/mine/2zjl) | Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | 分子名称: | Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | 著者 | Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. | 登録日 | 2008-03-07 | 公開日 | 2009-01-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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2ZJI
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2P54
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![BU of 2p54 by Molmil](/molmil-images/mine/2p54) | a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 | 分子名称: | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | 著者 | Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M. | 登録日 | 2007-03-14 | 公開日 | 2007-04-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents. J.Med.Chem., 50, 2007
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4UWX
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![BU of 4uwx by Molmil](/molmil-images/mine/4uwx) | Structure of liprin-alpha3 in complex with mDia1 Diaphanous- inhibitory domain | 分子名称: | LIPRIN-ALPHA-3, NICKEL (II) ION, PROTEIN DIAPHANOUS HOMOLOG 1, ... | 著者 | Brenig, J, de Boor, S, Knyphausen, P, Kuhlmann, N, Wroblowski, S, Baldus, L, Scislowski, L, Artz, O, Trauschies, P, Baumann, U, Neundorf, I, Lammers, M. | 登録日 | 2014-08-15 | 公開日 | 2015-05-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Biochemical Basis for the Inhibitory Effect of Liprin-Alpha3 on Mouse Diaphanous 1 (Mdia1) Function. J.Biol.Chem., 290, 2015
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1KKQ
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![BU of 1kkq by Molmil](/molmil-images/mine/1kkq) | Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif | 分子名称: | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR | 著者 | Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J. | 登録日 | 2001-12-10 | 公開日 | 2002-02-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha. Nature, 415, 2002
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1UJ1
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![BU of 1uj1 by Molmil](/molmil-images/mine/1uj1) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) | 分子名称: | 3C-like proteinase | 著者 | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | 登録日 | 2003-07-25 | 公開日 | 2003-11-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK2
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![BU of 1uk2 by Molmil](/molmil-images/mine/1uk2) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0 | 分子名称: | 3C-LIKE PROTEINASE | 著者 | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | 登録日 | 2003-08-14 | 公開日 | 2003-11-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK3
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![BU of 1uk3 by Molmil](/molmil-images/mine/1uk3) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6 | 分子名称: | 3C-like proteinase | 著者 | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | 登録日 | 2003-08-14 | 公開日 | 2003-11-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK4
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![BU of 1uk4 by Molmil](/molmil-images/mine/1uk4) | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor | 分子名称: | 3C-like proteinase nsp5, 5-mer peptide of inhibitor | 著者 | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | 登録日 | 2003-08-14 | 公開日 | 2003-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor Proc.Natl.Acad.Sci.USA, 100, 2003
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