8RH3
| Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Gemcitabine | 分子名称: | (2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol, Nucleoside 2-deoxyribosyltransferase | 著者 | Tang, P, Harding, C.J, Czekster, C.M. | 登録日 | 2023-12-14 | 公開日 | 2024-02-21 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
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8RHJ
| Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | 登録日 | 2023-12-15 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHK
| Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | 登録日 | 2023-12-15 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RI2
| Crystal structure of NLRP3 in complex with inhibitor NP3-562 | 分子名称: | 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | 著者 | Dekker, C. | 登録日 | 2023-12-18 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. J.Med.Chem., 67, 2024
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8RIJ
| Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | 登録日 | 2023-12-18 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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8RIV
| T2R-TTL-1-K08 complex | 分子名称: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | 登録日 | 2023-12-19 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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8RIW
| T2R-TTL-1-L01 complex | 分子名称: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | 登録日 | 2023-12-19 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
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8RIY
| Human NUDT5 with ibrutinib derivative | 分子名称: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | 著者 | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | 登録日 | 2023-12-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.288 Å) | 主引用文献 | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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8RJB
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8RJC
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8RJD
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8RJV
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-21 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJY
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | 分子名称: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJZ
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | 分子名称: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RK3
| Bacteriophage JBD30 baseplate - composite structure | 分子名称: | DUF2163 domain-containing protein, DUF2793 domain-containing protein, Tape measure protein N-terminal domain-containing protein, ... | 著者 | Valentova, L, Fuzik, T, Plevka, P. | 登録日 | 2023-12-23 | 公開日 | 2024-08-14 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (4.46 Å) | 主引用文献 | Structure and replication of Pseudomonas aeruginosa phage JBD30. Embo J., 43, 2024
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8RK6
| Baseplate core of bacteriophage JBD30 computed in C3 symmetry | 分子名称: | DUF2163 domain-containing protein, FE (III) ION, Tip attachment protein J domain-containing protein, ... | 著者 | Valentova, L, Fuzik, T, Plevka, P. | 登録日 | 2023-12-23 | 公開日 | 2024-08-14 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structure and replication of Pseudomonas aeruginosa phage JBD30. Embo J., 43, 2024
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8RK7
| Baseplate of bacteriophage JBD30 computed in C3 symmetry | 分子名称: | DUF2163 domain-containing protein, FE (III) ION, Tip attachment protein J domain-containing protein, ... | 著者 | Valentova, L, Fuzik, T, Plevka, P. | 登録日 | 2023-12-23 | 公開日 | 2024-08-14 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (4.46 Å) | 主引用文献 | Structure and replication of Pseudomonas aeruginosa phage JBD30. Embo J., 43, 2024
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8RKE
| Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Fahrenkamp, D, de Sanctis, D, Jovine, L. | 登録日 | 2023-12-25 | 公開日 | 2024-03-13 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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8RKG
| Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ... | 著者 | Nishio, S, de Sanctis, D, Jovine, L. | 登録日 | 2023-12-25 | 公開日 | 2024-03-13 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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8RKR
| Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer | 分子名称: | (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ... | 著者 | Porfetye, A.T, Vetter, I.R. | 登録日 | 2023-12-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography. Molecules, 29, 2024
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8RLN
| Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | 著者 | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | 登録日 | 2024-01-03 | 公開日 | 2024-06-19 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor. Acs Pharmacol Transl Sci, 7, 2024
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8RM5
| Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ... | 著者 | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | 登録日 | 2024-01-05 | 公開日 | 2024-05-22 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Structural insights into the cross-exon to cross-intron spliceosome switch. Nature, 630, 2024
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8RND
| Cathepsin S in complex with NNPI-C10 inhibitor | 分子名称: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | 著者 | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | 登録日 | 2024-01-09 | 公開日 | 2024-06-05 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 20, 2024
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8RNO
| Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with isophorone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5,5-trimethylcyclohex-2-en-1-one, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fernandez-Garcia, A, Sanz-Aparicio, J. | 登録日 | 2024-01-10 | 公開日 | 2024-10-16 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Insights and Reaction Profile of a New Unspecific Peroxygenase from Marasmius wettsteinii Produced in a Tandem-Yeast Expression System. Acs Chem.Biol., 19, 2024
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8RO0
| Structure of the C. elegans Intron Lariat Spliceosome primed for disassembly (ILS') | 分子名称: | Cell division cycle 5-like protein, Coiled-coil domain-containing protein 12, GCF C-terminal domain-containing protein, ... | 著者 | Vorlaender, M.K, Rothe, P, Plaschka, C. | 登録日 | 2024-01-11 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-21 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Mechanism for the initiation of spliceosome disassembly. Nature, 632, 2024
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