PDB: 225158 件ウェブページステータス検索Chemie searchBIRD

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7RT4	KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine) 分子名称: 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. 登録日 2021-08-12 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
7S6T	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
4XVK	Binary complex of human polymerase nu and DNA with the finger domain closed 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*GP*TP*AP*GP*CP*GP*TP*CP*A)-3'), ... 著者 Lee, Y.-S, Yang, W. 登録日 2015-01-27 公開日 2015-03-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 How a homolog of high-fidelity replicases conducts mutagenic DNA synthesis. Nat.Struct.Mol.Biol., 22, 2015
7S02	Crystal structure of FBF-2 in complex with LST-1 site A peptide and FBE RNA 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FBE RNA, ... 著者 Qiu, C, Hall, T.M.T. 登録日 2021-08-28 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Bipartite interaction sites differentially modulate RNA-binding affinity of a protein complex essential for germline stem cell self-renewal. Nucleic Acids Res., 50, 2022
7S6R	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7S6Q	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7S6S	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7SEO	Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO 分子名称: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 Fuller, J.L, Finzel, B.C. 登録日 2021-09-30 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
6PFB	Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. 分子名称: 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... 著者 Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. 登録日 2019-06-21 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.089 Å) 主引用文献 Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
6FB6	Crystal Structure of a Tailored I-CreI Homing Endonuclease Protein (3115 variant) in complex with an altered version of its target DNA (Haemoglobin beta subunit gene) at 5NNN region in the presence of Manganese 分子名称: DNA (5'-D(*TP*CP*AP*GP*AP*CP*TP*TP*GP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*CP*TP*CP*CP*TP*GP*TP*GP*G)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*TP*CP*TP*GP*A)-3'), ... 著者 Molina, R, Prieto, J. 登録日 2017-12-18 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Understanding the indirect DNA read-out specificity of I-CreI Meganuclease. Sci Rep, 8, 2018
3L00	Crystal structure of benzylated SNAP-tag 分子名称: SNAP-tag, ZINC ION 著者 Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K. 登録日 2009-12-09 公開日 2010-12-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 SNAP-tag structure To be Published
7RTG	Crystal Structure of the Human Adenosine Deaminase 1 分子名称: Adenosine deaminase, ZINC ION 著者 Ma, M.T, Lieberman, R.L, Blazeck, J, Jennings, M.R. 登録日 2021-08-13 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.591 Å) 主引用文献 Catalytically active holo Homo sapiens adenosine deaminase I adopts a closed conformation. Acta Crystallogr D Struct Biol, 78, 2022
6F1T	Cryo-EM structure of two dynein tail domains bound to dynactin and BICDR1 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... 著者 Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P. 登録日 2017-11-23 公開日 2018-01-17 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Cryo-EM shows how dynactin recruits two dyneins for faster movement. Nature, 554, 2018
7SJS	Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8 分子名称: ACETATE ION, CC40.8 Fab heavy chain, CC40.8 Fab light chain, ... 著者 Yuan, M, Wilson, I.A. 登録日 2021-10-18 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.612 Å) 主引用文献 A human antibody reveals a conserved site on beta-coronavirus spike proteins and confers protection against SARS-CoV-2 infection. Sci Transl Med, 14, 2022
7S57	Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence of Enterococcus faecalis Sortase A 分子名称: Class A sortase, sortase A chimera 著者 Svendsen, J.E, Johnson, D.A, Gao, M, Antos, J.M, Amacher, J.F. 登録日 2021-09-09 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
6PIQ	Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) 分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-26 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6OZ8	Crystal structure of Mtb aspartate decarboxylase in active form 分子名称: Aspartate 1 decarboxylase alpha chain, Aspartate 1 decarboxylase beta chain 著者 Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2019-05-15 公開日 2020-02-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
6P08	Ternary structure of the E52D mutant of ANT-4'' with Neomycin, AMP and Pyrophosphate 分子名称: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ... 著者 Selvaraj, B, Cuneo, M.J. 登録日 2019-05-16 公開日 2020-01-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 "Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction Acs Catalysis, 10, 2020
6F59	Crystal structure of human Brachyury (T) G177D variant in complex with DNA 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ... 著者 Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-12-01 公開日 2017-12-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.151 Å) 主引用文献 Crystal structure of human Brachyury (T) G177D variant in complex with DNA To Be Published
6F68	Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone 分子名称: (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schwartz, M, Favier, F, Didierjean, C. 登録日 2017-12-05 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.696 Å) 主引用文献 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
6ESQ	Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA 分子名称: CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ... 著者 Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T. 登録日 2017-10-24 公開日 2018-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7RYV	Anti-HIV neutralizing antibody Ab1573 Fab isolated from sequentially immunized macaques 分子名称: Ab1573 Fab heavy chain, Ab1573 Fab light chain 著者 Yang, Z, Bjorkman, P.J. 登録日 2021-08-26 公開日 2022-01-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Neutralizing antibodies induced in immunized macaques recognize the CD4-binding site on an occluded-open HIV-1 envelope trimer. Nat Commun, 13, 2022
6PBN	Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour 分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ... 著者 McFarlane, J.S, Lamb, A.L. 登録日 2019-06-14 公開日 2019-10-30 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
6FF7	human Bact spliceosome core structure 分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, BUD13 homolog, ... 著者 Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. 登録日 2018-01-03 公開日 2019-03-13 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Structure and Conformational Dynamics of the Human Spliceosomal BactComplex. Cell, 172, 2018
6PBZ	Crystal structure of Escherichia coli GppA 分子名称: CHLORIDE ION, Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase 著者 Song, H, Shaw, G.X, Wang, C, Ji, X. 登録日 2019-06-15 公開日 2019-11-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.475 Å) 主引用文献 Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori. Febs J., 287, 2020

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