PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

---

6TAM	X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3) 分子名称: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Friberg, A, Nguyen, D. 登録日 2019-10-30 公開日 2020-04-08 最終更新日 2020-06-03 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
6TOS	Crystal structure of the Orexin-1 receptor in complex with GSK1059865 分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... 著者 Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. 登録日 2019-12-11 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
6TAN	X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) 分子名称: 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Hillig, R.C, Eis, K, Badock, V. 登録日 2019-10-30 公開日 2020-04-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
3CYT	REDOX CONFORMATION CHANGES IN REFINED TUNA CYTOCHROME C 分子名称: CYTOCHROME C, HEME C 著者 Takano, T. 登録日 1980-07-01 公開日 1980-09-16 最終更新日 2021-03-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Redox conformation changes in refined tuna cytochrome c. Proc.Natl.Acad.Sci.USA, 77, 1980
6TPT	Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR 分子名称: Receptor-type tyrosine-protein phosphatase F 著者 Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. 登録日 2019-12-14 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
7ZXQ	cryo-EM structure of Connexin 32 R22G mutation hemi channel 分子名称: Gap junction beta-1 protein 著者 Qi, C, Korkhov, V.M. 登録日 2022-05-22 公開日 2023-05-31 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.53 Å) 主引用文献 Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels. Sci Adv, 9, 2023
3CXG	Crystal structure of Plasmodium falciparum thioredoxin, PFI0790w 分子名称: GLYCEROL, Putative thioredoxin, SULFATE ION 著者 Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Hills, T, Pizarro, J, Structural Genomics Consortium (SGC) 登録日 2008-04-24 公開日 2008-07-15 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of Plasmodium falciparum thioredoxin, PFI0790w. To be Published
6G2K	Structure of HuR RRM3 in complex with RNA (UUUUUU) 分子名称: ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), SULFATE ION 著者 Pabis, M, Sattler, M. 登録日 2018-03-23 公開日 2018-10-31 最終更新日 2019-05-15 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. Nucleic Acids Res., 47, 2019
3CXY	Crystal structure of the cytochrome P450 CYP121 P346L mutant from M. tuberculosis 分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Leys, D. 登録日 2008-04-25 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of active site structure in CYP121 TO BE PUBLISHED
7ZXP	cryo-EM structure of Connexin 32 R22G mutation gap junction channel 分子名称: Gap junction beta-1 protein 著者 Qi, C, Korkhov, V.M. 登録日 2022-05-22 公開日 2023-05-31 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.39 Å) 主引用文献 Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels. Sci Adv, 9, 2023
7ZU6	Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1) 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ... 著者 Tito, G, Merlino, A, Ferraro, G. 登録日 2022-05-11 公開日 2023-05-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.183 Å) 主引用文献 Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Angew.Chem.Int.Ed.Engl., 62, 2023
7ZUG	Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain 分子名称: CHLORIDE ION, Heterogeneous nuclear ribonucleoprotein H, N-terminally processed, ... 著者 Winter, N, Kumar, M, Isupov, M.N, Wiener, R. 登録日 2022-05-12 公開日 2023-05-24 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.075 Å) 主引用文献 Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain To Be Published
6TS5	Coagulation factor XI protease domain in complex with active site inhibitor 分子名称: 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... 著者 Renatus, M, Schiering, N. 登録日 2019-12-20 公開日 2020-07-08 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
3D17	A triply ligated crystal structure of relaxed state human hemoglobin 分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... 著者 Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J. 登録日 2008-05-05 公開日 2008-06-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A triply ligated crystal structure of relaxed state human hemoglobin TO BE PUBLISHED
3D1Y	Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA 分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 Protease, ... 著者 Liu, F, Weber, I.T. 登録日 2008-05-06 公開日 2008-05-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
6TLR	HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE 分子名称: 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... 著者 Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. 登録日 2019-12-03 公開日 2020-12-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
3D43	The crystal structure of Sph at 0.8A 分子名称: CALCIUM ION, Sphericase 著者 Almog, O. 登録日 2008-05-13 公開日 2009-04-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (0.8 Å) 主引用文献 The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state. Proteins, 74, 2009
7ZXM	cryo-EM structure of Connexin 32 gap junction channel 分子名称: Gap junction beta-1 protein 著者 Qi, C, Korkhov, V.M. 登録日 2022-05-21 公開日 2023-05-31 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.14 Å) 主引用文献 Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels. Sci Adv, 9, 2023
6G77	RSK4 N-terminal Kinase Domain in complex with AMP-PNP 分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION 著者 Prischi, F, Ali, M.M. 登録日 2018-04-04 公開日 2019-04-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.499 Å) 主引用文献 Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
6GDA	Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine 分子名称: Cytochrome c iso-1, HEME C, SPERMINE, ... 著者 Rennie, M.L, Fox, G.C, Crowley, P.B. 登録日 2018-04-23 公開日 2019-05-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. Acs Nano, 13, 2019
7ZLT	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Kavanagh, M, Levy, C. 登録日 2022-04-15 公開日 2023-05-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor To Be Published
3D5U	Crystal structure of a wildtype Polo-like kinase 1 (Plk1) catalytic domain. 分子名称: Polo-like kinase 1 著者 Elling, R.A, Fucini, R.V, Romanowski, M.J. 登録日 2008-05-17 公開日 2008-08-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands. Acta Crystallogr.,Sect.D, 64, 2008
7ZXT	cryo-EM structure of Connexin 32 W3S mutation hemi channel 分子名称: Gap junction beta-1 protein 著者 Qi, C, Korkhov, V.M. 登録日 2022-05-22 公開日 2023-05-31 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels. Sci Adv, 9, 2023
6GD9	Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytochrome c iso-1, HEME C, ... 著者 Rennie, M.L, Fox, G.C, Crowley, P.B. 登録日 2018-04-23 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl., 57, 2018
6GE0	Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2018-04-25 公開日 2018-05-30 最終更新日 2018-06-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

<141142143144145146147148149150151152153154155156>