PDB: 97138 件ウェブページステータス検索Chemie searchBIRD

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7Q27	Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
7Q29	Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013 分子名称: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
7Q25	Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
7Q24	Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
3HRK	Histidyl-tRNA synthetase from Trypanosoma cruzi (Histidyl-adenylate complex) 分子名称: CHLORIDE ION, HISTIDYL-ADENOSINE MONOPHOSPHATE, Histidyl-tRNA synthetase 著者 Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) 登録日 2009-06-09 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs. J.Mol.Biol., 397, 2010
6RAX	D. melanogaster CMG-DNA, State 1B 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... 著者 Eickhoff, P, Martino, F, Costa, A. 登録日 2019-04-08 公開日 2019-09-11 最終更新日 2019-09-18 実験手法 ELECTRON MICROSCOPY (3.99 Å) 主引用文献 Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome. Cell Rep, 28, 2019
6RAY	D. melanogaster CMG-DNA, State 2A 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... 著者 Eickhoff, P, Martino, F, Costa, A. 登録日 2019-04-08 公開日 2019-09-11 最終更新日 2019-09-18 実験手法 ELECTRON MICROSCOPY (4.28 Å) 主引用文献 Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome. Cell Rep, 28, 2019
3HRI	Histidyl-tRNA synthetase (apo) from Trypanosoma brucei 分子名称: Histidyl-tRNA synthetase 著者 Arakaki, T.L, Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) 登録日 2009-06-09 公開日 2009-12-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal structures of trypanosomal histidyl-tRNA synthetase illuminate differences between eukaryotic and prokaryotic homologs. J.Mol.Biol., 397, 2010
6SDJ	Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol 分子名称: (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-27 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6SAC	N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-07-16 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
5B8A	Crystal structure of oxidized chimeric EcAhpC1-186-YFSKHN 分子名称: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, GLYCEROL, SULFATE ION 著者 Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. 登録日 2016-06-14 公開日 2017-02-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
6SS9	Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... 著者 Rizkallah, P.J, Bovay, A. 登録日 2019-09-06 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
6FEK	Oncogenic point mutation of RET receptor tyrosine kinase 分子名称: ADENOSINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret 著者 McDonald, N.Q, Kohno, T. 登録日 2018-01-02 公開日 2018-02-28 最終更新日 2018-05-02 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A secondary RET mutation in the activation loop conferring resistance to vandetanib. Nat Commun, 9, 2018
5BNA	THE PRIMARY MODE OF BINDING OF CISPLATIN TO A B-DNA DODECAMER: C-G-C-G-A-A-T-T-C-G-C-G 分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM TRIAMINE ION 著者 Wing, R.M, Pjura, P, Drew, H.R, Dickerson, R.E. 登録日 1983-08-22 公開日 1983-11-02 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The primary mode of binding of cisplatin to a B-DNA dodecamer: C-G-C-G-A-A-T-T-C-G-C-G EMBO J., 3, 1984
6W44	Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4 分子名称: 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 著者 Ferguson, A.D. 登録日 2020-03-10 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J.Med.Chem., 64, 2021
6W4C	Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5 分子名称: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 著者 Ferguson, A.D. 登録日 2020-03-10 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening. J.Med.Chem., 64, 2021
6FLD	Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... 著者 De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. 登録日 2018-01-25 公開日 2018-08-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
5B8B	Crystal structure of reduced chimeric E.coli AhpC1-186-YFSKHN 分子名称: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, SULFATE ION 著者 Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G. 登録日 2016-06-14 公開日 2017-02-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins. Sci Rep, 6, 2016
6FQN	Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... 著者 De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. 登録日 2018-02-14 公開日 2018-08-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.30002666 Å) 主引用文献 Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
6WUP	Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ... 著者 Kaczmarski, J.A, Mahawaththa, M.C. 登録日 2020-05-05 公開日 2020-05-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme. Nat Commun, 11, 2020
6WY1	Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope 著者 Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. 登録日 2020-05-12 公開日 2021-11-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.42 Å) 主引用文献 Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies. Sci Adv, 7, 2021
6QT0	Cryo-EM structures of Lsg1-TAP pre-60S ribosomal particles 分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ... 著者 Kargas, V, Warren, A.J. 登録日 2019-02-22 公開日 2019-06-26 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Mechanism of completion of peptidyltransferase centre assembly in eukaryotes. Elife, 8, 2019
7D6J	Human serum albumin complexed with benzbromarone 分子名称: Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone 著者 Kawai, A, Yamasaki, K. 登録日 2020-09-30 公開日 2021-02-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.29 Å) 主引用文献 Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions. Mol Pharm., 18, 2021
6XRJ	Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage 分子名称: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment 著者 Manne, K, Nicely, N.I, Acharya, P. 登録日 2020-07-13 公開日 2020-12-30 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
6SS8	Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV 分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Beta-2-microglobulin, ... 著者 Rizkallah, P.J, Bovay, A. 登録日 2019-09-06 公開日 2020-07-15 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020

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