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PDB: 499 件
1I2V
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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
2X2C
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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
3PEQ
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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
2ZVX
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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
2ZJX
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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
2X25
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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
2X2A
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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
2X2D
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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
3SNL
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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
3P95
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Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17D)
分子名称: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2010-10-15
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2991 Å)
主引用文献The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
3P92
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Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)
分子名称: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
著者Salameh, M.A, Soares, A.S, Radisky, E.S.
登録日2010-10-15
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5992 Å)
主引用文献The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
2FDP
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BU of 2fdp by Molmil
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
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
著者Randal, M, Lam, M.B, Fahr, B.T, 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 (2.7 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJK
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Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
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 (3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
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Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, 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 (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJJ
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Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, 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 (2.2 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJL
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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
2ZJI
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BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, 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 (2.3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2P54
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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
4UWX
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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
1KKQ
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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
1UJ1
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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
1UK2
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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
1UK3
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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
1UK4
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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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