PDB: 7742 件ウェブページステータス検索Chemie searchBIRD

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3L5B	Structure of BACE Bound to SCH713601 分子名称: (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
3MG6	Structure of yeast 20S open-gate proteasome with Compound 6 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide, ... 著者 Sintchak, M.D. 登録日 2010-04-05 公開日 2011-05-18 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit. Biochem.J., 430, 2010
3M88	Crystal structure of the cysteine protease inhibitor, EhICP2, from Entamoeba histolytica 分子名称: Amoebiasin-2, CHLORIDE ION, SULFATE ION 著者 Lara-Gonzalez, S, Casados-Vazquez, L.E, Brieba, L.G. 登録日 2010-03-17 公開日 2011-02-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of the cysteine protease inhibitor 2 from Entamoeba histolytica: functional convergence of a common protein fold. Gene, 471, 2011
4M9S	crystal structure of CED-4 bound CED-3 fragment 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... 著者 Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3.207 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
3L5E	Structure of BACE Bound to SCH736062 分子名称: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID 著者 Strickland, C, Zhu, Z. 登録日 2009-12-21 公開日 2010-02-16 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
3MG0	Structure of yeast 20S proteasome with bortezomib 分子名称: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome component C1, Proteasome component C11, ... 著者 Sintchak, M.D. 登録日 2010-04-05 公開日 2011-05-18 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit. Biochem.J., 430, 2010
3I25	Potent Beta-Secretase 1 hydroxyethylene Inhibitor 分子名称: Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide 著者 Lindberg, J.D, Borkakoti, N, Nystrom, S. 登録日 2009-06-29 公開日 2010-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
4M9Z	Crystal structure of CED-4 bound CED-3 fragment 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... 著者 Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. 登録日 2013-08-15 公開日 2013-10-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (3.405 Å) 主引用文献 Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
4U5Q	High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis 分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Peptide synthetase 著者 Patel, K.D, Haque, A.S, Priyadarshan, K, Sankaranarayanan, R. 登録日 2014-07-25 公開日 2016-01-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.811 Å) 主引用文献 High resolution structure of R-domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis To Be Published
4JSU	Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... 著者 Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. 登録日 2013-03-22 公開日 2013-05-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome J.Med.Chem., 56, 2013
3Q3X	Crystal structure of the main protease (3C) from human enterovirus B EV93 分子名称: GLYCEROL, HEVB EV93 3C protease, MAGNESIUM ION 著者 Costenaro, L, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. 登録日 2010-12-22 公開日 2011-09-07 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93. J.Virol., 85, 2011
3MVI	Crystal structure of holo mADA at 1.6 A resolution 分子名称: Adenosine deaminase, GLYCEROL, ZINC ION 著者 Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C. 登録日 2010-05-04 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The role of Zn2+ on the structure and stability of murine adenosine deaminase. J.Phys.Chem.B, 114, 2010
3LC3	Benzothiophene Inhibitors of Factor IXa 分子名称: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX 著者 Wang, S, Beck, R. 登録日 2010-01-09 公開日 2010-02-23 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis. J.Med.Chem., 53, 2010
4TWY	Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor 分子名称: (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase 著者 Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. 登録日 2014-07-02 公開日 2015-02-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23, 2015
3KN0	Structure of BACE bound to SCH708236 分子名称: 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Strickland, C, Wang, Y. 登録日 2009-11-11 公開日 2010-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
3Q45	Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val 分子名称: D-ALANINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase, ... 著者 Lukk, T, Gerlt, J.A, Nair, S.K. 登録日 2010-12-22 公開日 2011-02-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
3KMX	Structure of BACE bound to SCH346572 分子名称: 4-butoxy-3-chlorobenzyl imidothiocarbamate, Beta-secretase 1 著者 Strickland, C, Wang, Y. 登録日 2009-11-11 公開日 2010-01-19 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010
4MVN	Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor 分子名称: Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid 著者 Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. 登録日 2013-09-24 公開日 2014-01-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
3KYO	Crystal structure of HLA-G presenting KLPAQFYIL peptide 分子名称: Beta-2-microglobulin, COBALT (II) ION, KLPAQFYIL peptide, ... 著者 Walpole, N.G, Rossjohn, J, Clements, C.S. 登録日 2009-12-06 公開日 2010-02-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The structure and stability of the monomorphic HLA-G are influenced by the nature of the bound peptide J.Mol.Biol., 397, 2010
4F49	2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor 分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL 著者 Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. 登録日 2012-05-10 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
3Q3Y	Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404) 分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, HEVB EV93 3C protease, ... 著者 Costenaro, L, Kaczmarska, Z, Arnan, C, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. 登録日 2010-12-22 公開日 2011-09-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93. J.Virol., 85, 2011
2ZWL	Human factor viia-tissue factor complexed with highly selective peptide inhibitor 分子名称: 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid, CALCIUM ION, Factor VII heavy chain, ... 著者 Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. 登録日 2008-12-16 公開日 2009-01-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Human factor viia-tissue factor complexed with highly selective peptide inhibitor To be Published
4O9K	Crystal structure of the CBS pair of a putative D-arabinose 5-phosphate isomerase from Methylococcus capsulatus in complex with CMP-Kdo 分子名称: Arabinose 5-phosphate isomerase, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, GLYCEROL 著者 Shabalin, I.G, Cooper, D.R, Shumilin, I.A, Zimmerman, M.D, Majorek, K.A, Hammonds, J, Hillerich, B.S, Nawar, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2014-01-02 公開日 2014-01-22 最終更新日 2022-04-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure and kinetic properties of D-arabinose 5-phosphate isomerase from Methylococcus capsulatus To be Published
3LIW	Factor XA in complex with (R)-2-(1-ADAMANTYLCARBAMOYLAMINO)-3-(3-CARBAMIDOYL-PHENYL)-N-PHENETHYL-PROPIONIC ACID AMIDE 分子名称: (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE, Activated factor Xa heavy chain, CALCIUM ION, ... 著者 Mueller, M.M, Sperl, S, Sturzebecher, J, Bode, W, Moroder, L. 登録日 2010-01-25 公開日 2010-04-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 (R)-3-Amidinophenylalanine-Derived Inhibitors of Factor Xa with a Novel Active-Site Binding Mode Biol.Chem., 383, 2003
3KMY	Structure of BACE bound to SCH12472 分子名称: 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1 著者 Strickland, C, Wang, Y. 登録日 2009-11-11 公開日 2010-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53, 2010

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