8D5V
 
 | | WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera | | 分子名称: | IRON/SULFUR CLUSTER, Probable transcriptional regulator WhiB6, RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta | | 著者 | Wan, T, Zhang, L.M. | | 登録日 | 2022-06-06 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of WhiB6 and SigA4-betaTip complex
To Be Published
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7QI3
 | | Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase | | 分子名称: | 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
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6TZ6
 | | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | 分子名称: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | 著者 | Fox III, D, Lukacs, C.M. | | 登録日 | 2019-08-10 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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8CTX
 | | Crystal structure of a K+ selective NaK mutant (NaK2K) -K+,Tl+ complex | | 分子名称: | POTASSIUM ION, Potassium channel protein, THALLIUM (I) ION | | 著者 | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | 登録日 | 2022-05-16 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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6U90
 | | Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA | | 分子名称: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Song, J. | | 登録日 | 2019-09-06 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.00081754 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms
To Be Published
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7TZC
 | | A drug and ATP binding site in type 1 ryanodine receptor | | 分子名称: | (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Melville, Z, Dridi, H, Yuan, Q, Reiken, S, Anetta, W, Liu, Y, Clarke, O.B, Marks, A.R. | | 登録日 | 2022-02-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2022-07-20 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | A drug and ATP binding site in type 1 ryanodine receptor.
Structure, 30, 2022
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8D51
 | | Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing beta-3-homotryptophan | | 分子名称: | 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ... | | 著者 | Yu, Z, Kreitler, D.F, Gellman, S.H. | | 登録日 | 2022-06-03 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7QAV
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6UD3
 | | Full length Glycine receptor reconstituted in lipid nanodisc in Gly/PTX-bound open/blocked conformation | | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | 著者 | Kumar, A, Basak, S, Chakrapani, S. | | 登録日 | 2019-09-18 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
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7QBR
 | | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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8CR7
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7QBQ
 | | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | | 分子名称: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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7MFV
 | | Crystal structure of synthetic nanobody (Sb16) | | 分子名称: | 1,2-ETHANEDIOL, Synthetic Nanobody #16 (Sb16) | | 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 (1.9 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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7Q72
 | | Structure of Pla1 in complex with Red1 | | 分子名称: | NURS complex subunit red1, Poly(A) polymerase pla1 | | 著者 | Soni, K, Wild, K, Sinning, I. | | 登録日 | 2021-11-09 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Mechanistic insights into RNA surveillance by the canonical poly(A) polymerase Pla1 of the MTREC complex.
Nat Commun, 14, 2023
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8FHI
 | | Wildtype rabbit TRPV5 in nanodiscs in complex with oleoyl coenzyme A, Open stated | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), ... | | 著者 | De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y. | | 登録日 | 2022-12-14 | | 公開日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | 分子名称: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2019-09-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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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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8CTS
 | | Room temperature crystal structure of a K+ selective NaK mutant (NaK2K) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | 著者 | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | 登録日 | 2022-05-16 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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8FFO
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8D78
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8FHH
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7QB2
 | | Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | 分子名称: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | | 登録日 | 2021-11-18 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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7CMU
 | | Dopamine Receptor D3R-Gi-Pramipexole complex | | 分子名称: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | 登録日 | 2020-07-29 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-04-07 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
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8TF9
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-IP7, produced upon myo-IP6 phosphorylation by TvI | | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | 著者 | Zong, G, Wang, H, Shears, S.B. | | 登録日 | 2023-07-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus.
Embo J., 43, 2024
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8DAI
 | | E. coli DHFR complex with NADP+ and 10-methylfolate | | 分子名称: | Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Greisman, J.B, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-06-13 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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