6PUG
 
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U | | 分子名称: | 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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5UV5
 | | Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | 分子名称: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2017-02-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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6Y4A
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6YD1
 | | SaFtsZ-DFMBA | | 分子名称: | 2,6-difluoro-3-methoxybenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
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5FUW
 | | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd | | 分子名称: | PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ... | | 著者 | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | | 登録日 | 2016-01-31 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
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7LHX
 | | Human U1A protein with F37M and F77M mutations for improved phasing | | 分子名称: | ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ... | | 著者 | Jenkins, J.L, Lippa, G.M, Wedekind, J.E. | | 登録日 | 2021-01-26 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Affinity and Structural Analysis of the U1A RNA Recognition Motif with Engineered Methionines to Improve Experimental Phasing
Crystals, 11, 2021
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6YD6
 | | SaFtsZ-UCM152 (comp.20) | | 分子名称: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
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8RTZ
 | | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | | 登録日 | 2024-01-29 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3
To Be Published
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8APV
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 27 | | 分子名称: | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Hall, G, Cowan, R, Carr, M.D. | | 登録日 | 2022-08-10 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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6HHS
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5ULF
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7QEF
 | | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | 分子名称: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | 登録日 | 2021-12-02 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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6YD5
 | | SaFtsZ-UCM151 (comp. 18) | | 分子名称: | 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2020-03-20 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
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5FLD
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6FNG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-02-04 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.038 Å) | | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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8APW
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 30 | | 分子名称: | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Hall, G, Cowan, R, Carr, M.D. | | 登録日 | 2022-08-10 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
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8AHC
 | | Crystal structure of the BRD9 bromodomain with BI-7189 | | 分子名称: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | | 著者 | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | | 登録日 | 2022-07-21 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8AIN
 | | MCUGI SAUNG complex | | 分子名称: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | | 著者 | Muselmani, W, Savva, R. | | 登録日 | 2022-07-26 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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6FNM
 | | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib | | 分子名称: | Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-02-04 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.157 Å) | | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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6YAX
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8B1P
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6HL1
 | | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | | 分子名称: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | | 登録日 | 2018-09-10 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
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6YN4
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8AIM
 | | Ugi-2 SAUNG complex | | 分子名称: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | | 著者 | Muselmani, W, Savva, R. | | 登録日 | 2022-07-26 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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7LVC
 | | E. coli DHFR by Native Mn,P,S-SAD at Room Temperature | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Hekstra, D.R. | | 登録日 | 2021-02-24 | | 公開日 | 2021-03-17 | | 最終更新日 | 2022-08-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
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