PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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8DAF	Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid 分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... 著者 D'Agostino, E.H, Cato, M.L, Ortlund, E.A. 登録日 2022-06-13 公開日 2023-06-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
8G0V	Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99 分子名称: 1,2-ETHANEDIOL, 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-02-01 公開日 2023-02-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99 To be published
7S85	Crystal structure of CDK2 liganded with compound WN316 分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2 著者 Sun, L, Schonbrunn, E. 登録日 2021-09-17 公開日 2022-09-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
8G0T	Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99 分子名称: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-02-01 公開日 2023-02-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99 To be published
8D1X	Crystal Structure of aminopeptidase A from Neisseria gonorrhoeae 分子名称: ACETATE ION, CHLORIDE ION, D(-)-TARTARIC ACID, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2022-05-27 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal Structure of aminopeptidase A from Neisseria gonorrhoeae to be published
8G0U	Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99 分子名称: 1,2-ETHANEDIOL, 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-02-01 公開日 2023-02-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99 To be published
8FK3	Adeno-Associated Virus Porcine Origin capsid protein basic regions in complex with Importin-alpha 2 分子名称: Importin subunit alpha-1, VP1 著者 Hoad, M, Forwood, J.K, Roby, J.A. 登録日 2022-12-20 公開日 2023-03-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Characterization of Porcine Adeno-Associated Virus Capsid Protein with Nuclear Trafficking Protein Importin Alpha Reveals a Bipartite Nuclear Localization Signal. Viruses, 15, 2023
6UON	Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation 分子名称: Beta-2-microglobulin, GLY-ALA-ASP-GLY-VAL-GLY-LYS-SER-ALA-LEU, HLA class I antigen, ... 著者 Sun, P.D, Sim, M.J.W. 登録日 2019-10-15 公開日 2020-05-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 High-affinity oligoclonal TCRs define effective adoptive T cell therapy targeting mutant KRAS-G12D. Proc.Natl.Acad.Sci.USA, 117, 2020
8D0K	Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template - PRIM2C advanced PIC 分子名称: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ... 著者 He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C. 登録日 2022-05-26 公開日 2022-06-22 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (4.27 Å) 主引用文献 Structures of the human CST-Pol alpha-primase complex bound to telomere templates. Nature, 608, 2022
6UQF	Human HCN1 channel in a hyperpolarized conformation 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MERCURY (II) ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 著者 Lee, C.-H, MacKinnon, R. 登録日 2019-10-19 公開日 2019-12-11 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (3.04 Å) 主引用文献 Voltage Sensor Movements during Hyperpolarization in the HCN Channel. Cell, 179, 2019
7S7P	NMR solution structure of a neurotoxic thionin from Urtica ferox 分子名称: urthionin-Uf1a 著者 Durek, T, Harvey, P.J, Craik, D.J. 登録日 2021-09-16 公開日 2022-07-27 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Neurotoxic and cytotoxic peptides underlie the painful stings of the tree nettle Urtica ferox. J.Biol.Chem., 298, 2022
8D0B	Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template 分子名称: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ... 著者 He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C. 登録日 2022-05-26 公開日 2022-06-22 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (3.43 Å) 主引用文献 Structures of the human CST-Pol alpha-primase complex bound to telomere templates. Nature, 608, 2022
7SI1	Crystal structure of apo EGFR kinase domain 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION 著者 Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J. 登録日 2021-10-12 公開日 2022-10-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Clearing the Path to Rapid High-Quality Protein Purification To Be Published
8FR6	Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP 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, Envelope glycoprotein gp120, ... 著者 Wang, S, Kwong, P.D. 登録日 2023-01-06 公開日 2023-04-19 最終更新日 2023-06-07 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization. J.Virol., 97, 2023
8QYQ	Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten 分子名称: 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... 著者 Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. 登録日 2023-10-26 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
7SHV	Crystal structure of BRAF kinase domain bound to GDC0879 分子名称: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf 著者 Kung, J.E, Sudhamsu, J. 登録日 2021-10-11 公開日 2022-10-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Clearing the Path to Rapid High-Quality Protein Purification To Be Published
8R8D	Cryo-EM structure of coagulation factor beta-XIIa in complex with the garadacimab Fab fragment (symmetric dimer) 分子名称: Coagulation factor XII, Garadacimab heavy chain variable region, Garadacimab light chain variable region, ... 著者 Drulyte, I. 登録日 2023-11-29 公開日 2023-12-13 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structural basis for inhibition of beta-FXIIa by garadacimab To Be Published
8QBJ	Structure of mBaoJin at pH 4.6 分子名称: CHLORIDE ION, mBaoJin 著者 Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. 登録日 2023-08-24 公開日 2023-12-27 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
7SJ3	Structure of CDK4-Cyclin D3 bound to abemaciclib 分子名称: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine 著者 Hilgers, M.T, Pelletier, L.A. 登録日 2021-10-15 公開日 2022-11-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Structure of CDK4-Cyclin D3 bound to abemaciclib To Be Published
7RV2	Crystal structure of the BCL6 BTB domain in complex with OICR-8828 分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Kuntz, D.A, Prive, G.G. 登録日 2021-08-18 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Crystal structure of the BCL6 BTB domain in complex with OICR-8828 To Be Published
6UXS	Solution structure of the cyclic peptide 3.1B 分子名称: Cyclic peptide 3.1B 著者 Solomon, P.D. 登録日 2019-11-08 公開日 2020-11-18 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of the cyclic peptide 3.1B To Be Published
7RUW	Crystal structure of the BCL6 BTB domain in complex with OICR-7859 分子名称: 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide, B-cell lymphoma 6 protein, CHLORIDE ION, ... 著者 Kuntz, D.A, Prive, G.G. 登録日 2021-08-18 公開日 2022-11-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystal structure of the BCL6 BTB domain in complex with OICR-7859 To Be Published
6UZU	Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 分子名称: 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 McKenna, R, Mboge, M.Y, Mahon, B.P. 登録日 2019-11-15 公開日 2020-10-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides. Eur J Med Chem, 132, 2017
8FV9	E coli. CTP synthase in complex with F-dCTP 分子名称: 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID 著者 Holyoak, T, McLeod, M.J, Tran, N. 登録日 2023-01-18 公開日 2023-05-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.991 Å) 主引用文献 A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
8FVB	E coli. CTP synthase in complex with CTP 分子名称: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID 著者 Holyoak, T, McLeod, M.J, Tran, N. 登録日 2023-01-18 公開日 2023-05-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023

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