8FEC
 
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | 分子名称: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | 登録日 | 2022-12-06 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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6X5M
 | | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | | 分子名称: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | | 著者 | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands.
Nucleic Acids Res., 49, 2021
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8FZW
 | | Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin I | | 著者 | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L. | | 登録日 | 2023-01-30 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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8FDO
 | | SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058 | | 分子名称: | DH1058 Heavy chain, DH1058 Light chain, FP15 | | 著者 | Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L. | | 登録日 | 2022-12-04 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
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6WZS
 | | Fusibacterium ulcerans ZTP riboswitch bound to m-1-pyridinyl AICA | | 分子名称: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | 著者 | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | 登録日 | 2020-05-14 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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6WZR
 | | Fusibacterium ulcerans ZTP riboswitch bound to p-1-pyridinyl AICA | | 分子名称: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | 著者 | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | 登録日 | 2020-05-14 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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6QUL
 | | Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid | | 分子名称: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D. | | 登録日 | 2019-02-27 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic.
Sci Rep, 9, 2019
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6YWY
 | | The structure of the mitoribosome from Neurospora crassa with bound tRNA at the P-site | | 分子名称: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | | 著者 | Amunts, A, Itoh, Y, Naschberger, A. | | 登録日 | 2020-04-30 | | 公開日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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6ZM6
 | | Human mitochondrial ribosome in complex with mRNA, A/A tRNA and P/P tRNA | | 分子名称: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | | 著者 | Itoh, Y, Andrell, J, Amunts, A. | | 登録日 | 2020-07-01 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.59 Å) | | 主引用文献 | Mechanism of membrane-tethered mitochondrial protein synthesis.
Science, 371, 2021
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7AAT
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7P7P
 | | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid | | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Giastas, P, Stratikos, E, Mpakali, A. | | 登録日 | 2021-07-20 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2.
Acs Med.Chem.Lett., 13, 2022
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6ZN0
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, ISONICOTINAMIDINE, ... | | 著者 | Oebbeke, M, Heine, A, Klebe, G. | | 登録日 | 2020-07-06 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8DV1
 | | SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein | | 著者 | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | | 登録日 | 2022-07-27 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-03-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
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8DV2
 | | SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein | | 著者 | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | | 登録日 | 2022-07-27 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-03-15 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
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7OON
 | | The X-ray structure of heme-bound murine HEBP1 | | 分子名称: | Heme-binding protein 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Birck, C, Goodfellow, B.J. | | 登録日 | 2021-05-28 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The SOUL family of heme-binding proteins: Structure and function 15 years later
Coord. Chem. Rev, 448, 2021
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7P2Y
 | | F1Fo-ATP synthase from Acinetobacter baumannii (state 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T. | | 登録日 | 2021-07-06 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
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7A4U
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8E9L
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K | | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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7AAY
 | | Crystal structure of MerTK kinase domain in complex with Merestinib | | 分子名称: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | 登録日 | 2020-09-05 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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8E9K
 | | Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate at 278 K | | 分子名称: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9T
 | | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K | | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9V
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K | | 分子名称: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | 著者 | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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6XIR
 | | Cryo-EM Structure of K63 Ubiquitinated Yeast Translocating Ribosome under Oxidative Stress | | 分子名称: | 18S ribosomal RNA, 35S ribosomal RNA, 40S ribosomal protein S0-A, ... | | 著者 | Zhou, Y, Bartesaghi, A, Silva, G.M. | | 登録日 | 2020-06-21 | | 公開日 | 2020-08-26 | | 最終更新日 | 2020-09-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural impact of K63 ubiquitin on yeast translocating ribosomes under oxidative stress.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7A06
 | | Structure of human CKa1 in complex with compound o | | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | 登録日 | 2020-08-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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7ONF
 | | The binding of p-coumaroyl glucose to glycogen phosphorylase reveals the relationship between structural data and effects on cell metabolome | | 分子名称: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | | 著者 | Tsagkarakou, A.S, Koulas, S.M, Kyriakis, E, Drakou, C.E, Leonidas, D.D. | | 登録日 | 2021-05-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure activity relationship of the binding of p-coumaroyl glucose to glycogen phosphorylase and its effect on hepatic cell metabolic pathways
Eur J Med Chem Rep, 3, 2021
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