PDB: 243911 件ウェブページステータス検索Chemie searchBIRD

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6UVH	Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid 分子名称: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... 著者 Roy, M.J, Lessene, G, Czabotar, P.E. 登録日 2019-11-02 公開日 2021-05-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
6UVG	Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid 分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... 著者 Roy, M.J, Lessene, G, Czabotar, P.E. 登録日 2019-11-02 公開日 2021-05-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
1AKE	STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM ESCHERICHIA COLI AND THE INHIBITOR AP5A REFINED AT 1.9 ANGSTROMS RESOLUTION: A MODEL FOR A CATALYTIC TRANSITION STATE 分子名称: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE 著者 Mueller, C.W, Schulz, G.E. 登録日 1991-11-08 公開日 1994-01-31 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state. J.Mol.Biol., 224, 1992
6CY6	Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane. 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-04-04 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli. Acta Crystallogr D Struct Biol, 75, 2019
5R5I	PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N06325b 分子名称: 1-ethanoylpiperidine-4-carbonitrile, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22 著者 Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. 登録日 2020-02-28 公開日 2020-07-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 PanDDA analysis group deposition To Be Published
6MH5	Crystal Structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from Staphylococcus schleiferi in complex with Fosmidomycin (FOM) 分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID 著者 Lee, S.G, Jez, J.M. 登録日 2018-09-17 公開日 2020-03-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.887 Å) 主引用文献 Potent, specific MEPicides for treatment of zoonotic staphylococci. Plos Pathog., 16, 2020
6D1H	Crystal structure of NDM-1 complexed with compound 11 分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... 著者 Pemberton, O.A, Chen, Y. 登録日 2018-04-11 公開日 2019-04-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
4M8Y	GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions 分子名称: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease 著者 Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. 登録日 2013-08-14 公開日 2014-05-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions. J.Virol., 88, 2014
7DXI	Structure of Drosophila melanogaster GlcNAc-1-phosphotransferase 分子名称: CALCIUM ION, FI02838p 著者 Du, S, Xiao, J, Guopeng, W. 登録日 2021-01-19 公開日 2022-02-02 最終更新日 2025-06-25 実験手法 ELECTRON MICROSCOPY (3.53 Å) 主引用文献 Structural insights into how GlcNAc-1-phosphotransferase directs lysosomal protein transport. J.Biol.Chem., 298, 2022
7VVD	Crystal Structure of the Kv7.1 C-terminal Domain in Complex with Calmodulin disease mutation Q135P 分子名称: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1,Potassium voltage-gated channel subfamily KQT member 1 著者 Chen, L. 登録日 2021-11-05 公開日 2022-11-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.134 Å) 主引用文献 Crystal Structure of the Kv7.1 C-terminal Domain in Complex with Calmodulin disease mutation F141L To Be Published
2DB4	Crystal structure of rotor ring with DCCD of the V- ATPase from Enterococcus hirae 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DICYCLOHEXYLUREA, SODIUM ION, ... 著者 Murata, T, Yamato, I, Kakinuma, Y, Shirouzu, M, Walker, J.E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-12-15 公開日 2006-12-05 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase. Proc.Natl.Acad.Sci.USA, 108, 2011
7L4G	Crystal Structure of Acetyl-CoA synthetase in complex with acetyl adenylate from Cryptococcus neoformans H99 分子名称: 1,2-ETHANEDIOL, Acetyl-coenzyme A synthetase, PHOSPHATE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2020-12-19 公開日 2020-12-30 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of Acetyl-CoA synthetase in complex with acetyl adenylate from Cryptococcus neoformans H99 to be published
5L5Y	Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with carfilzomib 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... 著者 Groll, M, Huber, E.M. 登録日 2016-05-28 公開日 2016-11-09 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. EMBO J., 35, 2016
1K1X	Crystal structure of 4-alpha-glucanotransferase from thermococcus litoralis 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-ALPHA-GLUCANOTRANSFERASE, CALCIUM ION 著者 Imamura, H, Fushinobu, S, Kumasaka, T, Yamamoto, M, Jeon, B.S, Wakagi, T, Matsuzawa, H. 登録日 2001-09-26 公開日 2003-06-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of 4-alpha-glucanotransferase from Thermococcus litoralis and its complex with an inhibitor J.BIOL.CHEM., 278, 2003
4ZTF	Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor 分子名称: (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... 著者 Klein, D.J, Patel, S. 登録日 2015-05-14 公開日 2015-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
5EEI	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with SAHA 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-22 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
7KN1	Crystal structure of UDP-glucose-4-epimerase (galE) from Stenotrophomonas maltophila with bound NAD and formylated UDP-arabinopyranose 分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-4-deoxy-4-formamido-beta-L-arabinopyranose, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2020-11-03 公開日 2020-11-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of UDP-glucose-4-epimerase (galE) from Stenotrophomonas maltophila with bound NAD and formylated UDP-arabinopyranose To Be Published
7UZ3	Band 3-Glycophorin A complex, outward facing 分子名称: Band 3 anion transport protein, CHOLESTEROL, DIUNDECYL PHOSPHATIDYL CHOLINE, ... 著者 Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. 登録日 2022-05-08 公開日 2022-07-20 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (2.35 Å) 主引用文献 Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
5ZCD	Crystal structure of Alpha-glucosidase in complex with maltotriose 分子名称: Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Kato, K, Saburi, W, Yao, M. 登録日 2018-02-16 公開日 2018-12-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.707 Å) 主引用文献 Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity. FEBS Lett., 592, 2018
4JZF	Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid 分子名称: 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ... 著者 Wei, A, Anumula, R. 登録日 2013-04-02 公開日 2013-08-21 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. Bioorg.Med.Chem.Lett., 23, 2013
2UZC	Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 著者 Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. 登録日 2007-04-27 公開日 2007-05-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms. Protein Sci., 19, 2010
3Q9O	Full-length Cholix toxin from Vibrio cholerae in complex with NAD 分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, exotoxin A 著者 Merrill, A.R, Jorgensen, R, Fieldhouse, R.J. 登録日 2011-01-09 公開日 2012-01-04 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.793 Å) 主引用文献 The 1.8 a cholix toxin crystal structure in complex with NAD+ and evidence for a new kinetic model. J.Biol.Chem., 287, 2012
3L16	Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer 分子名称: 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 著者 Murray, J.M, Wiesmann, C. 登録日 2009-12-10 公開日 2010-02-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
2V4N	Crystal structure of Salmonella typhimurium SurE at 1.7 angstrom resolution in orthorhombic form 分子名称: GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ... 著者 Anju, P, Savithri, H.S, Murthy, M.R.N. 登録日 2008-09-26 公開日 2008-12-09 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium FEBS J., 275, 2008
5EEK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trichostatin A 分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016

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