PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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4K8Y	Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) 分子名称: Kallikrein-4, Trypsin inhibitor 1 著者 Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. 登録日 2013-04-19 公開日 2014-04-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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
3ZPU	Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors 分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate 著者 Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. 登録日 2013-03-01 公開日 2013-11-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
1J14	BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT 分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... 著者 Stubbs, M.T. 登録日 2002-11-30 公開日 2002-12-23 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
3QE8	Crystal Structure Analysis of Lysozyme-bound fac-[Re(CO)3(H2O)(Im)]+ 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... 著者 Zobi, F, Spingler, B. 登録日 2011-01-20 公開日 2012-01-18 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Post-protein-binding reactivity and modifications of the fac-[Re(CO)3]+ core Inorg.Chem., 51, 2012
7XX9	Solution structure of RRM2 of Human SART3 分子名称: Squamous cell carcinoma antigen recognized by T-cells 3 著者 Kim, I, Bang, K.M, Park, C, Kim, N.K, Suh, J.Y. 登録日 2022-05-29 公開日 2023-08-30 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of RRM1 of Human SART3 To Be Published
3QPJ	HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 分子名称: 4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, DITHIANE DIOL, ... 著者 Lindemann, I, Heine, A, Klebe, G. 登録日 2011-02-14 公開日 2012-02-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease To be Published
2ZCK	Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody 分子名称: KGISSQY, Prostate-specific antigen, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Menez, R, Stura, E, Jolivet-Reynaud, C. 登録日 2007-11-09 公開日 2008-01-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody J.Mol.Biol., 376, 2008
7XX8	Solution structure of RRM1 of Human SART3 分子名称: Squamous cell carcinoma antigen recognized by T-cells 3 著者 Kim, I, Bang, K.M, Park, C, Kim, N.K, Suh, J.Y. 登録日 2022-05-29 公開日 2023-08-30 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of RRM1 of Human SART3 To Be Published
4KPA	Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) 分子名称: Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE 著者 Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L. 登録日 2013-05-13 公開日 2013-07-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
3QFW	Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris 分子名称: Ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, SULFATE ION 著者 Fedorov, A.A, Fedorov, E.V, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2011-01-23 公開日 2011-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.789 Å) 主引用文献 Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris To be Published
1IWY	Crystal Structure Analysis of Human lysozyme at 170K. 分子名称: CHLORIDE ION, LYSOZYME C 著者 Joti, Y, Nakasako, M, Kidera, A, Go, N. 登録日 2002-06-03 公開日 2002-09-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors. Acta Crystallogr.,Sect.D, 58, 2002
4AA8	Bovine chymosin at 1.8A resolution 分子名称: CHLORIDE ION, CHYMOSIN 著者 Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. 登録日 2011-11-30 公開日 2012-12-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
4KE0	Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 分子名称: (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M, Li, V. 登録日 2013-04-25 公開日 2013-07-03 最終更新日 2013-07-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
3QIN	Crystal Structure of HIV-1 RNase H p15 with engineered E. coli loop and pyrimidinol carboxylic acid inhibitor 分子名称: 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, Fusion protein of HIV-1 RNase H p15 with engineered E. coli loop, MANGANESE (II) ION, ... 著者 Lansdon, E.B, Kirschberg, T.A. 登録日 2011-01-27 公開日 2011-04-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6967 Å) 主引用文献 Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
4KEL	Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N) 分子名称: Kallikrein-4, Trypsin inhibitor 1 著者 Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. 登録日 2013-04-25 公開日 2014-04-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.148 Å) 主引用文献 KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
4FON	High Energy Remote SAD structure solution of Proteinase K from the 37.8 keV Tellurium K edge 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, OXYGEN ATOM, ... 著者 Jakoncic, J. 登録日 2012-06-20 公開日 2012-08-22 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Macromolecular Crystallography at High(er) Energy To be Published
2ZIB	Crystal structure analysis of calcium-independent type II antifreeze protein 分子名称: SULFATE ION, Type II antifreeze protein 著者 Nishimiya, Y, Sato, R, Kondo, H, Noro, N, Sugimoto, H, Suzuki, M, Tsuda, S. 登録日 2008-02-14 公開日 2008-08-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Crystal structure and mutational analysis of Ca2+-independent type II antifreeze protein from longsnout poacher, Brachyopsis rostratus J.Mol.Biol., 382, 2008
7WOM	The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid 分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, Fatty acid-binding protein, heart 著者 Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. 登録日 2022-01-21 公開日 2023-01-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with eicosapentaenoic acid To Be Published
7WPU	The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid 分子名称: Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... 著者 Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. 登録日 2022-01-24 公開日 2023-01-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid To Be Published
2ZJM	Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(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-(4-sulfamoylphenoxy)acetamide 著者 Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K. 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 (1.9 Å) 主引用文献 Fragment-based discovery of novel BACE1 inhibitors using Tethering technology To be Published
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
4FRJ	Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l 分子名称: (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... 著者 Whittington, D.A, Long, A.M. 登録日 2012-06-26 公開日 2012-09-12 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
1J8A	CRYSTAL STRUCTURE OF BENZAMIDINE INHIBITED BOVINE PANCREATIC TRYPSIN AT 105K TO 1.21A RESOLUTION FROM LABORATORY SOURCE WITH HIGH NUMBER OF WATERS MODELLED 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, CALCIUM ION, ... 著者 Cuesta-Seijo, J.A, Garcia-Granda, S. 登録日 2001-05-21 公開日 2001-09-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Trypsin as a model for high resolution X-ray diffraction in proteins. BOL.R.SOC.HIST.NAT.SEC.GEOL., 97, 2002
4FRS	Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium 分子名称: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1 著者 Orth, P. 登録日 2012-06-26 公開日 2012-08-08 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction ACS Med Chem Lett, 3, 2012

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