6H0W
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 | 分子名称: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | 登録日 | 2018-07-10 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 To be published
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6WPP
| HUMAN NIK IN COMPLEX WITH LIGAND COMPOUND X | 分子名称: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Shih, A.Y, Hack, M, Mirzadegan, T. | 登録日 | 2020-04-27 | 公開日 | 2020-08-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Impact of Protein Preparation on Resulting Accuracy of FEP Calculations. J.Chem.Inf.Model., 60, 2020
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6DS2
| Crystal structure of Ni(II)-bound human calprotectin | 分子名称: | NICKEL (II) ION, Protein S100-A8, Protein S100-A9, ... | 著者 | Nolan, E.M, Drennan, C.L, Nakashige, T.G. | 登録日 | 2018-06-13 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site. Biochemistry, 57, 2018
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6D4Q
| M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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7SZR
| NIK bound to inhibitor G02792917 | 分子名称: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Liau, N.P.D, Hymowitz, S.G. | 登録日 | 2021-11-29 | 公開日 | 2023-06-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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7LES
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7LGV
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7TIA
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | 分子名称: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | 登録日 | 2022-01-13 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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6HP8
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7MC6
| Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | 登録日 | 2021-04-01 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MC5
| Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | 著者 | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | 登録日 | 2021-04-01 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MFU
| Crystal structure of synthetic nanobody (Sb14+Sb68) complexes with SARS-CoV-2 receptor binding domain | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Spike protein S1, ... | 著者 | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | 登録日 | 2021-04-11 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
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6X7Q
| Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | 分子名称: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | 著者 | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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8QPH
| Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | 著者 | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | 登録日 | 2023-10-02 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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7M2F
| CDK2 with compound 14 inhibitor with carboxylate | 分子名称: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | 著者 | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | 登録日 | 2021-03-16 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | 主引用文献 | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7MOX
| Structure of HDAC2 in complex with an inhibitor (compound 14) | 分子名称: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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8R03
| Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.0 A resolution | 分子名称: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | 著者 | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | 登録日 | 2023-10-30 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8R05
| Photorhabdus lamondii ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.5 A resolution | 分子名称: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | 著者 | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | 登録日 | 2023-10-30 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8R04
| Structure of Staphylococcus aureus ClpP Bound to the Covalent Active Site Inhibitor Cystargolide A | 分子名称: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | 著者 | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | 登録日 | 2023-10-30 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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7TLJ
| Rhodobacter sphaeroides Mitochondrial respiratory chain complex | 分子名称: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 14 kDa peptide of ubiquinol-cytochrome c2 oxidoreductase complex, ... | 著者 | Xia, D, Zhou, F, Esser, L, Huang, R. | 登録日 | 2022-01-18 | 公開日 | 2023-02-08 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin to be published
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7TV3
| LH2-LH3 antenna in parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-02-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (11.4 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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7TUW
| LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-02-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (8.2 Å) | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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6I8G
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6IC7
| Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | 分子名称: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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7MJ9
| HLA-A*02:01 bound to Neuroblastoma Derived mutant IGFBPL1 peptide | 分子名称: | Beta-2-microglobulin, Insulin-like growth factor-binding protein-like 1 altered peptide, MHC class I antigen | 著者 | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | 登録日 | 2021-04-19 | 公開日 | 2021-08-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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