PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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4EZJ	Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf 分子名称: 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 著者 Murray, J.M. 登録日 2012-05-02 公開日 2013-04-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.67 Å) 主引用文献 Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf Bioorg.Med.Chem.Lett., 22, 2012
1QKD	ERABUTOXIN 分子名称: ERABUTOXIN A 著者 Nastopoulos, V, Kanellopoulos, P.N, Tsernoglou, D. 登録日 1998-01-16 公開日 1999-02-16 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structure of dimeric and monomeric erabutoxin a refined at 1.5 A resolution. Acta Crystallogr.,Sect.D, 54, 1998
3PKW	Crystal Structure of Toxoflavin Lyase (TflA) bound to Mn(II) 分子名称: MANGANESE (II) ION, Toxoflavin lyase (TflA) 著者 Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. 登録日 2010-11-12 公開日 2011-01-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad . Biochemistry, 50, 2011
3ITA	Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin 分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ... 著者 Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K. 登録日 2009-08-27 公開日 2009-10-20 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of penicillin-binding protein 6 from Escherichia coli. J.Am.Chem.Soc., 131, 2009
4ID9	Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 分子名称: ALANINE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) 登録日 2012-12-12 公開日 2012-12-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 To be Published
2XIJ	Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ... 著者 Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. 登録日 2010-06-30 公開日 2010-09-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation. J.Biol.Chem., 285, 2010
4IIX	Structure of MccF in complex with glutamyl sulfamoyl guanosine 分子名称: 1,2-ETHANEDIOL, 5'-O-(L-alpha-glutamylsulfamoyl)guanosine, MccF 著者 Agarwal, V, Nair, S.K. 登録日 2012-12-20 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.229 Å) 主引用文献 Structure of MccF with substrate analogs To be Published
1B4N	FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE 分子名称: CALCIUM ION, FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE, GLUTARIC ACID, ... 著者 Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C. 登録日 1998-12-24 公開日 1999-05-18 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications. J.Mol.Biol., 286, 1999
4IJT	Human p53 core domain with hot spot mutation R273H (form II) 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... 著者 Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. 登録日 2012-12-23 公開日 2013-08-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 2013
1VKZ	Crystal structure of Phosphoribosylamine--glycine ligase (TM1250) from Thermotoga maritima at 2.30 A resolution 分子名称: 1,2-ETHANEDIOL, Phosphoribosylamine--glycine ligase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2004-06-29 公開日 2004-08-24 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of Phosphoribosylamine--glycine ligase (TM1250) from Thermotoga maritima at 2.30 A resolution To be published
3KRS	Structure of Triosephosphate Isomerase from Cryptosporidium Parvum at 1.55A Resolution 分子名称: SODIUM ION, Triosephosphate isomerase, UNKNOWN ATOM OR ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2009-11-19 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure of triosephosphate isomerase from Cryptosporidium parvum. Acta Crystallogr.,Sect.F, 67, 2011
7X6A	SARS-CoV-2 BA.2 variant spike protein in complex with Fab BD55-5840 分子名称: Heavy chain of Fab BD55-5840, Light chain of Fab BD55-5840, Spike glycoprotein 著者 Wang, X, Wang, L. 登録日 2022-03-07 公開日 2022-07-13 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection. Nature, 608, 2022
4N9A	E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid 分子名称: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
1W8M	Enzymatic and Structural Characterisation of Non Peptide Ligand Cyclophilin Complexes 分子名称: ETHYL OXO(PIPERIDIN-1-YL)ACETATE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A 著者 Kontopidis, G, Taylor, P, Walkinshaw, M. 登録日 2004-09-24 公開日 2004-09-30 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes Acta Crystallogr.,Sect.D, 60, 2004
3DTB	The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP 分子名称: 2-PHOSPHOGLYCOLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ... 著者 Sullivan, S.M, Holyoak, T. 登録日 2008-07-14 公開日 2008-08-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection. Proc.Natl.Acad.Sci.Usa, 105, 2008
1VMH	Crystal structure of an uncharacterized conserved protein yjbq/upf0047 family, ortholog yugu b.subtilis (ca_c0907) from clostridium acetobutylicum at 1.31 A resolution 分子名称: SODIUM ION, Uncharacterized conserved protein YjbQ/UPF0047 family, ortholog yugU B.subtilis 著者 Joint Center for Structural Genomics (JCSG) 登録日 2004-09-24 公開日 2004-10-05 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Crystal structure of Uncharacterized conserved protein YjbQ/UPF0047 family, ortholog yugU B.subtilis (15023806) from Clostridium acetobutylicum at 1.31 A resolution To be published
7UCF	Structure of the BG505 SOSIP.664 trimer in complex with neutralizing antibody Fab fragments 10-1074 and BG24 分子名称: 10-1074 Fab heavy chain, 10-1074 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Barnes, C.O, Bjorkman, P.J. 登録日 2022-03-16 公開日 2022-08-17 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 A naturally arising broad and potent CD4-binding site antibody with low somatic mutation. Sci Adv, 8, 2022
1W0V	Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 分子名称: BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... 著者 Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. 登録日 2004-06-14 公開日 2005-03-07 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide J.Mol.Biol., 346, 2005
4MRH	Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 分子名称: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE 著者 Liu, L.K, Finzel, B. 登録日 2013-09-17 公開日 2014-04-30 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
3Q3G	Crystal Structure of A-domain in complex with antibody 分子名称: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light Chain, ... 著者 Mahalingam, B, Xiong, J.P, Arnaout, M.A. 登録日 2010-12-21 公開日 2011-11-30 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design. J.Immunol., 187, 2011
1Y21	Crystal Structure of Cimex Nitrophorin NO Complex 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Weichsel, A, Maes, E.M, Andersen, J.F, Valenzuela, J.G, Shokhireva, T.K, Walker, F.A, Montfort, W.R. 登録日 2004-11-19 公開日 2004-11-30 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Heme-assisted S-nitrosation of a proximal thiolate in a nitric oxide transport protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
3PHC	Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG 分子名称: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, POTASSIUM ION, ... 著者 Ho, M, Edwards, A.A, Almo, S.C, Schramm, V.L. 登録日 2010-11-03 公開日 2011-11-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase in complex with DADMe-ImmG To be Published
4IJ9	Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone 分子名称: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha 著者 Dreyer, M.K, Schiffer, A. 登録日 2012-12-21 公開日 2013-05-01 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
7FAR	Crystal structure of PDE5A in complex with inhibitor L12 分子名称: 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... 著者 Wu, D, Huang, Y.Y, Luo, H.B. 登録日 2021-07-07 公開日 2022-05-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.40006471 Å) 主引用文献 Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
5T28	mPI3Kd IN COMPLEX WITH 5k 分子名称: 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. 登録日 2016-08-23 公開日 2017-04-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017

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