8YRV
 
 | | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis complexed with 3-aminooxypropionic acid | | 分子名称: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV, MAGNESIUM ION | | 著者 | Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Popov, V.O, Boyko, K.M. | | 登録日 | 2024-03-21 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis complexed with 3-aminooxypropionic acid
To Be Published
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9BDW
 | | NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA | | 分子名称: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | | 著者 | Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. | | 登録日 | 2024-04-12 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8XW6
 | | Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and ATP | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Nakashima, R, Taguchi, A. | | 登録日 | 2024-01-16 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
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9BKN
 | | DHODH in complex with Ligand 16 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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8VIS
 | | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | | 登録日 | 2024-01-05 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
To Be Published
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9BKO
 | | DHODH in complex with Ligand 26 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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8VFL
 | | Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K | | 分子名称: | D-dopachrome decarboxylase | | 著者 | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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8ZM4
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8VR7
 | | crystal structure of the Pcryo_0619 N-acetyltransferase from Psychrobacter cryohalolentis K5 int he presence of acetyl coenzyme A | | 分子名称: | 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | | 著者 | Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | 登録日 | 2024-01-20 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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8X0J
 | | old yellow enzymes-Q102A/Y169F/R215A/R308A | | 分子名称: | NADPH dehydrogenase, PHOSPHATE ION | | 著者 | Lei, W, Wei, S. | | 登録日 | 2023-11-04 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Unlocking the function promiscuity of old yellow enzyme to catalyze asymmetric Morita-Baylis-Hillman reaction
To Be Published
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8XXA
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9BBH
 | | Co-crystal structure of human DDB1 bound to fragment UB028670 | | 分子名称: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-05 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
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9BHR
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-21 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
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9B76
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9FA6
 | | Gcase in complex with small molecule inhibitor 1 | | 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, Lysosomal acid glucosylceramidase, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9AVQ
 | | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | 登録日 | 2024-03-04 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
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9B2H
 | | HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | | 分子名称: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2024-03-15 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 2024
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9FAD
 | | Gcase in complex with small molecule inhibitor 1 | | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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8YSX
 | | canine immunoproteasome 20S subunit in complex with compound 2 | | 分子名称: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | | 著者 | Kashima, A, Arai, Y. | | 登録日 | 2024-03-24 | | 公開日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor.
Bioorg.Med.Chem., 109, 2024
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8Y0P
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9AVK
 | | Structure of long Rib domain from Limosilactobacillus reuteri | | 分子名称: | SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein | | 著者 | Xue, Y, Kang, X. | | 登録日 | 2024-03-04 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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9FAZ
 | | Gcase in complex with small molecule inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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6RGZ
 | | Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Mideros-Mora, C, Casino, P, Marina, A. | | 登録日 | 2019-04-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
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6U4X
 | | Crystal structure of Equine Serum Albumin complex with ibuprofen | | 分子名称: | IBUPROFEN, SULFATE ION, Serum albumin, ... | | 著者 | Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-08-26 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
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9F1T
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