8TS4
 
 | | Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine | | 分子名称: | (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Guddat, L.W, Guddat, L.W. | | 登録日 | 2023-08-10 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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8TR1
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8TPY
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8TPV
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6BAH
 | | Trastuzumab Fab v3 with 5-diphenyl meditope variant | | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain,IGH@ protein, ... | | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | | 登録日 | 2017-10-12 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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6BAE
 | | Trastuzumab Fab v3 in complex with CQFDLSTRRLKC | | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | | 登録日 | 2017-10-12 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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6B9Y
 | | Trastuzumab Fab v3 in complex with 5-phenyl meditope variant | | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | | 登録日 | 2017-10-11 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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6B9Z
 | | Trastuzumab Fab v3 | | 分子名称: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | | 著者 | Bzymek, K.P, King, J.D, Williams, J.C. | | 登録日 | 2017-10-11 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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8VRG
 | | E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines | | 分子名称: | Peptidyl-prolyl cis-trans isomerase B | | 著者 | Frkic, R.L, Jackson, C.J. | | 登録日 | 2024-01-22 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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8VRH
 | | E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines | | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Frkic, R.L, Jackson, C.J. | | 登録日 | 2024-01-22 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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8VRI
 | | E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | | 著者 | Frkic, R.L, Jackson, C.J. | | 登録日 | 2024-01-22 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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4EHG
 | | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | | 分子名称: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C. | | 登録日 | 2012-04-02 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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4EHE
 | | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | | 分子名称: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Voegtli, W.C. | | 登録日 | 2012-04-02 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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8BYU
 | | Crystal Structure of HexaBody-CD38 Fab in complex with CD38 | | 分子名称: | 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Fab Heavy Chain, ... | | 著者 | Freier, R, Krapp, S, Hibbert, R.G. | | 登録日 | 2022-12-14 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Preclinical anti-tumour activity of HexaBody-CD38, a next-generation CD38 antibody with superior complement-dependent cytotoxic activity.
Ebiomedicine, 93, 2023
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7L7F
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7L7K
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6W0Z
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5GZR
 | | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | | 分子名称: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | | 著者 | Gao, G.G, Shi, Y, Peng, R, Liu, S. | | 登録日 | 2016-10-01 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | | 主引用文献 | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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6W0X
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6W0N
 | | Structure of KHK in complex with compound 2 | | 分子名称: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | | 著者 | Jasti, J. | | 登録日 | 2020-03-02 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
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6W0Y
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7REF
 | | Structure of MS3494 from Mycobacterium smegmatis | | 分子名称: | BROMIDE ION, MS3494 | | 著者 | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | | 登録日 | 2021-07-12 | | 公開日 | 2021-08-18 | | 最終更新日 | 2022-06-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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4DRU
 | | HCV NS5B in complex with macrocyclic INDOLE INHIBITOR | | 分子名称: | 13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide, GLYCEROL, RNA-directed RNA polymerase, ... | | 著者 | Cummings, M.D, Vendeville, S. | | 登録日 | 2012-02-17 | | 公開日 | 2012-04-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based macrocyclization yields hepatitis C virus NS5B inhibitors with improved binding affinities and pharmacokinetic properties.
Angew.Chem.Int.Ed.Engl., 51, 2012
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7RIJ
 | | [I11G]hyen D | | 分子名称: | ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D | | 著者 | Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J. | | 登録日 | 2021-07-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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