PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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3HDN	Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2 分子名称: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid 著者 Zhao, B, Hammond, M. 登録日 2009-05-07 公開日 2009-06-30 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
3HDM	Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1 分子名称: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1 著者 Zhao, B, Hammond, M. 登録日 2009-05-07 公開日 2009-06-30 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
4CGJ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-11-25 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CHQ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... 著者 Peat, T.S. 登録日 2013-12-04 公開日 2013-12-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CJP	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid, CHLORIDE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-22 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CK2	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 2-(1,2-benzoxazol-3-yl)ethanoic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-24 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CPF	Wild-type streptavidin in complex with love-hate ligand 3 (LH3) 分子名称: STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate 著者 Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. 登録日 2014-02-06 公開日 2014-08-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
4CTO	Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods 分子名称: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ... 著者 Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. 登録日 2014-03-15 公開日 2014-08-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
4CJT	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CPE	Wild-type streptavidin in complex with love-hate ligand 1 (LH1) 分子名称: (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide, STREPTAVIDIN 著者 Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M. 登録日 2014-02-06 公開日 2014-08-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction. Bioorg.Med.Chem., 22, 2014
4E3U	Crystal Structure of Hen Egg White Lysozyme Cryoprotected in Proline 分子名称: CHLORIDE ION, Lysozyme C, PROLINE 著者 Tanner, J.J, Pemberton, T.A. 登録日 2012-03-10 公開日 2012-07-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4EA8	X-ray crystal structure of PerB from Caulobacter crescentus in complex with coenzyme A and GDP-N-acetylperosamine at 1 Angstrom resolution 分子名称: CHLORIDE ION, COENZYME A, GDP-N-acetylperosamine, ... 著者 Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. 登録日 2012-03-22 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
1IFW	SOLUTION STRUCTURE OF C-TERMINAL DOMAIN OF POLY(A) BINDING PROTEIN FROM SACCHAROMYCES CEREVISIAE 分子名称: POLYADENYLATE-BINDING PROTEIN, CYTOPLASMIC AND NUCLEAR 著者 Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Sprules, T, Ekiel, I, Gehring, K. 登録日 2001-04-13 公開日 2002-07-24 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution structure of the orphan PABC domain from Saccharomyces cerevisiae poly(A)-binding protein. J.Biol.Chem., 277, 2002
1INW	A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES 分子名称: (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. 登録日 1994-09-26 公開日 1995-02-07 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies. J.Mol.Biol., 245, 1995
4EAA	X-ray crystal structure of the H141N mutant of perosamine N-acetyltransferase from Caulobacter crescentus in complex with CoA and GDP-perosamine 分子名称: CHLORIDE ION, COENZYME A, GDP-perosamine, ... 著者 Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. 登録日 2012-03-22 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
1J4K	SOLUTION STRUCTURE OF THE FHA2 DOMAIN OF RAD53 COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE DERIVED FROM RAD9 分子名称: DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1 著者 Byeon, I.-J.L, Yongkiettrakul, S, Tsai, M.-D. 登録日 2001-10-03 公開日 2001-12-05 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of the yeast Rad53 FHA2 complexed with a phosphothreonine peptide pTXXL: comparison with the structures of FHA2-pYXL and FHA1-pTXXD complexes. J.Mol.Biol., 314, 2001
8JPA	De novo design cavitated protein without predefined topology 分子名称: De novo design cavitated protein 著者 Hu, X, Xu, Y. 登録日 2023-06-11 公開日 2023-06-28 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 De novo design of cavity-containing proteins with a backbone-centered neural network energy function. Structure, 32, 2024
1INX	A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES 分子名称: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. 登録日 1994-09-26 公開日 1995-02-07 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies. J.Mol.Biol., 245, 1995
8J07	96nm repeat of human respiratory doublet microtubule and associated axonemal complexes 分子名称: ACTA2, Axonemal dynein light intermediate polypeptide 1, Calaxin, ... 著者 Gui, M, Brown, A. 登録日 2023-04-09 公開日 2023-07-26 最終更新日 2023-08-02 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Axonemal structures reveal mechanoregulatory and disease mechanisms. Nature, 618, 2023
4EAB	X-ray crystal structure of the H141A mutant of GDP-perosamine N-acetyl transferase from Caulobacter crescentus in complex with CoA and GDP-perosamine 分子名称: CHLORIDE ION, COENZYME A, GDP-perosamine, ... 著者 Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. 登録日 2012-03-22 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
1IL9	STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 8-METHYL-9-OXOGUANINE 分子名称: 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE, RICIN A CHAIN 著者 Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. 登録日 2001-05-07 公開日 2002-01-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
1IL3	STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 7-DEAZAGUANINE 分子名称: 7-DEAZAGUANINE, RICIN A CHAIN 著者 Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. 登録日 2001-05-07 公開日 2002-01-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
1IL4	STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 9-DEAZAGUANINE 分子名称: 9-DEAZAGUANINE, RICIN A CHAIN 著者 Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D. 登録日 2001-05-07 公開日 2002-01-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition. J.Med.Chem., 45, 2002
8JBO	Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine 分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... 著者 Pengthaisong, S, Ketudat Cairns, J.R. 登録日 2023-05-09 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study. Chem.Biol.Interact., 384, 2023
4CAG	Bacillus licheniformis Rhamnogalacturonan Lyase PL11 分子名称: CALCIUM ION, GLYCEROL, POLYSACCHARIDE LYASE FAMILY 11 PROTEIN 著者 Otten, H, Rodrigues da Silva, I.I.C, Jers, C, Nyffenegger, C, Larsen, D.M, Mikkelsen, J.D, Larsen, S. 登録日 2013-10-08 公開日 2014-10-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.498 Å) 主引用文献 Design of Thermostable Rhamnogalacturonan Lyase Mutants from Bacillus Licheniformis by Combination of Targeted Single Point Mutations. Appl.Microbiol.Biotechnol., 98, 2014

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