PDB: 46200 件ウェブページステータス検索Chemie searchBIRD

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1P2A	The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor 分子名称: 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2 著者 Liu, J.-J, Dermatakis, A, Lukacs, C.M, Konzelmann, F, Chen, Y, Kammlott, U, Depinto, W, Yang, H, Yin, X, Chen, Y, Schutt, A, Simcox, M.E, Luk, K.-C. 登録日 2003-04-15 公開日 2003-07-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors BIOORG.MED.CHEM., 13, 2003
7V7L	Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex 分子名称: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha 著者 Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D. 登録日 2021-08-21 公開日 2022-05-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha. Nat Commun, 13, 2022
7V7W	Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA) 分子名称: (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha 著者 Diao, X, Ren, X, Li, F.W, Zhang, M, Sun, X, Wu, D. 登録日 2021-08-21 公開日 2022-05-18 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.507 Å) 主引用文献 Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha. Nat Commun, 13, 2022
7VOI	Structure of the human CNOT1(MIF4G)-CNOT6L-CNOT7 complex 分子名称: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 6-like, CCR4-NOT transcription complex subunit 7 著者 Bartlam, M, Zhang, Q. 登録日 2021-10-13 公開日 2022-06-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (4.38 Å) 主引用文献 Structure of the human Ccr4-Not nuclease module using X-ray crystallography and electron paramagnetic resonance spectroscopy distance measurements. Protein Sci., 31, 2022
7JYM	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST 分子名称: (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 著者 Sack, J. 登録日 2020-08-31 公開日 2020-11-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.051 Å) 主引用文献 Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach. Acs Med.Chem.Lett., 11, 2020
8WR8	The Crystal Structure of cGAS from Biortus 分子名称: Cyclic GMP-AMP synthase 著者 Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. 登録日 2023-10-13 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 The Crystal Structure of cGAS from Biortus To Be Published
7MQ2	C9A Streptococcus pneumoniae CstR in the reduced state, space group P21 分子名称: Copper-sensing transcriptional repressor csoR 著者 Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P. 登録日 2021-05-05 公開日 2022-03-09 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Functional asymmetry and chemical reactivity of CsoR family persulfide sensors. Nucleic Acids Res., 49, 2021
4R1M	Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution 分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-08-06 公開日 2014-08-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution To be published
7MQ1	C9A Streptococcus pneumoniae CstR in the reduced state, space group C2 分子名称: CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ... 著者 Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P. 登録日 2021-05-05 公開日 2022-03-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Functional asymmetry and chemical reactivity of CsoR family persulfide sensors. Nucleic Acids Res., 49, 2021
3VC4	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-03 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
3VBT	Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design 分子名称: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1 著者 Liu, J. 登録日 2012-01-02 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J.Med.Chem., 55, 2012
6SFI	Crystal structure of p38 alpha in complex with compound 75 (MCP33) 分子名称: Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-08-01 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
8JSH	Structure of the 30S-body-IF3 complex from Escherichia coli 分子名称: 16S ribosomal RNA, 30S ribosomal protein S15, 30S ribosomal protein S16, ... 著者 Uday, A.B, Mishra, R.K, Hussain, T. 登録日 2023-06-20 公開日 2024-01-24 実験手法 ELECTRON MICROSCOPY (4.4 Å) 主引用文献 Initiation factor 3 bound to the 30S ribosomal subunit in an initial step of translation. Proteins, 2023
1QYP	THERMOCOCCUS CELER RPB9, NMR, 25 STRUCTURES 分子名称: RNA POLYMERASE II, ZINC ION 著者 Wang, B, Jones, D.N.M, Kaine, B.P, Weiss, M.A. 登録日 1997-08-19 公開日 1997-12-24 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 High-resolution structure of an archaeal zinc ribbon defines a general architectural motif in eukaryotic RNA polymerases. Structure, 6, 1998
1EY1	SOLUTION STRUCTURE OF ESCHERICHIA COLI NUSB 分子名称: ANTITERMINATION FACTOR NUSB 著者 Altieri, A.S, Mazzulla, M.J, Horita, D.A, Coats, R.H, Wingfield, P.T, Byrd, R.A. 登録日 2000-05-05 公開日 2000-06-14 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 The structure of the transcriptional antiterminator NusB from Escherichia coli. Nat.Struct.Biol., 7, 2000
1OL1	Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 分子名称: CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-08-04 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
6ANL	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, TAK-715 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-08-14 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
1OIY	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-26 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
4R1L	Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution 分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-08-06 公開日 2014-08-27 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution To be published
6SFJ	Crystal structure of p38 alpha in complex with compound 77 (MCP41) 分子名称: Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-08-01 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
1OI9	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-10 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
7U6E	Head region of insulin receptor ectodomain (A-isoform) bound to the non-insulin agonist IM462 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IM462, ... 著者 Kirk, N.S, Lawrence, M.C. 登録日 2022-03-03 公開日 2022-10-05 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Activation of the human insulin receptor by non-insulin-related peptides Nat Commun, 13, 2022
6SJM	Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) 分子名称: 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Chaikuad, A, Pollinger, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-08-13 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. Acs Med.Chem.Lett., 10, 2019
1OL2	Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 分子名称: ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. 登録日 2003-08-05 公開日 2003-12-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
1OIU	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-26 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004

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