PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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4U8W	HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand) 分子名称: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2014-08-05 公開日 2014-11-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation. Chemmedchem, 10, 2015
4U99	Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II) ligation state, Q154A/Q155A/K156A mutant 分子名称: NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... 著者 Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. 登録日 2014-08-05 公開日 2014-10-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
4UAE	Importin alpha 3 delta IBB in complex with Influenza PB2 Nuclear Localization Domain 分子名称: Importin subunit alpha-3, Polymerase basic protein 2, SULFATE ION 著者 Pumroy, R.A, Cingolani, G. 登録日 2014-08-08 公開日 2015-02-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7. Structure, 23, 2015
7N0Y	Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA 分子名称: Acetylcholine-binding protein, Globular alpha-conotoxin AusIA 著者 Ho, T.N.T, Abraham, N, Lewis, R.J. 登録日 2021-05-26 公開日 2021-11-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA. Sci Rep, 11, 2021
4UAD	Importin alpha 7 delta IBB in complex with Influenza PB2 Nuclear Localization Domain 分子名称: Importin subunit alpha-7, Polymerase basic protein 2 著者 Pumroy, R.A, Cingolani, G. 登録日 2014-08-08 公開日 2015-02-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7. Structure, 23, 2015
4UAI	Crystal structure of CXCL12 in complex with inhibitor 分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1 著者 Smith, E.W, Chen, Y. 登録日 2014-08-09 公開日 2014-11-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine. J.Med.Chem., 57, 2014
4UBA	Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) 分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, Casein kinase II subunit alpha 著者 Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. 登録日 2014-08-12 公開日 2015-07-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.995 Å) 主引用文献 A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
7MX3	Crystal structure of human RIPK3 complexed with GSK'843 分子名称: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 著者 Davies, K.A, Czabotar, P.E. 登録日 2021-05-18 公開日 2021-11-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.23 Å) 主引用文献 Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
4UET	Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus 分子名称: NEMATODE FATTY ACID RETINOID BINDING PROTEIN 著者 Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K. 登録日 2014-12-18 公開日 2015-09-16 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus. Biochem.J., 471, 2015
4UFR	Structure of the ectodomain of LGR5 in complex with R-spondin-2 (Fu1Fu2) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, ... 著者 Zebisch, M, Jones, E.Y. 登録日 2015-03-18 公開日 2015-07-08 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of R-Spondin 2 in Complex with the Ectodomains of its Receptors Lgr5 and Znrf3. J.Struct.Biol., 191, 2015
7N43	Alpha-conotoxin OmIA with unusual pharmacological properties at alpha7 nicotinic receptors 分子名称: Acetylcholine-binding protein, Alpha-conotoxin OmIA 著者 Ho, T.N.T, Abraham, N, Lewis, R.J. 登録日 2021-06-03 公開日 2021-12-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Unique Pharmacological Properties of alpha-Conotoxin OmIA at alpha 7 nAChRs. Front Pharmacol, 12, 2021
4UIV	BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide 分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide 著者 Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. 登録日 2015-04-03 公開日 2015-04-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
4UHJ	Crystal structure of the receiver domain of CpxR from E. coli (orthorhombic form) 分子名称: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR 著者 Mechaly, A.E, Alzari, P.M.A. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase. Structure, 25, 2017
4UG0	STRUCTURE OF THE HUMAN 80S RIBOSOME 分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S RIBOSOMAL PROTEIN, ... 著者 Khatter, H, Myasnikov, A.G, Natchiar, S.K, Klaholz, B.P. 登録日 2015-03-20 公開日 2015-06-10 最終更新日 2019-12-18 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Structure of the human 80S ribosome NATURE, 520, 2015
6U7G	HCoV-229E RBD Class V in complex with human APN 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, Aminopeptidase N, ... 著者 Tomlinson, A, Li, Z, Rini, J.M. 登録日 2019-09-02 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 The human coronavirus HCoV-229E S-protein structure and receptor binding. Elife, 8, 2019
4UPB	Electron cryo-microscopy of the complex formed between the hexameric ATPase RavA and the decameric inducible decarboxylase LdcI 分子名称: ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE 著者 Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I. 登録日 2014-06-15 公開日 2014-08-20 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (11 Å) 主引用文献 Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins. Elife, 3, 2014
4U6B	Zg3597, a family 117 glycoside hydrolase, produced by the marine bacterium Zobellia galactanivorans 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... 著者 Ficko-Blean, E. 登録日 2014-07-28 公開日 2015-02-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family. Acta Crystallogr.,Sect.D, 71, 2015
4UPM	Structure of rat neuronal nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2014-06-17 公開日 2014-08-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
4UD0	X-ray structure and activities of an essential Mononegavirales L- protein domain 分子名称: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... 著者 Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. 登録日 2014-12-05 公開日 2015-11-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain. Nat.Commun., 6, 2015
4U6Q	CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid 分子名称: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... 著者 Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. 登録日 2014-07-29 公開日 2015-02-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
7A3P	Crystal structure of dengue 3 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Single Chain Variable Fragment 著者 Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. 登録日 2020-08-18 公開日 2021-12-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.19 Å) 主引用文献 The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
4U73	HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid 分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ... 著者 Arya, T, Addlagatta, A. 登録日 2014-07-30 公開日 2015-03-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
4U79	Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor. 分子名称: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide 著者 Mohr, C. 登録日 2014-07-30 公開日 2014-10-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability. Acs Med.Chem.Lett., 6, 2015
4U7I	Structure of the complex of Spartin MIT and IST1 MIM 分子名称: IST1 homolog, Spartin 著者 Guo, E.Z, Xu, Z. 登録日 2014-07-30 公開日 2015-02-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.794 Å) 主引用文献 Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains. J.Biol.Chem., 290, 2015
4U84	Human Pin1 with S-hydroxyl-cysteine 113 分子名称: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 著者 Li, W, Zhang, Y. 登録日 2014-08-01 公開日 2015-04-08 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015

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