8J24
 
 | | Cryo-EM structure of FFAR2 complex bound with acetic acid | | 分子名称: | ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Tai, L, Li, F, Tang, W, Sun, X, Wang, J. | | 登録日 | 2023-04-14 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
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8J21
 | | Cryo-EM structure of FFAR3 complex bound with butyrate acid | | 分子名称: | Free fatty acid receptor 3, 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 | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | | 登録日 | 2023-04-14 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
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6JME
 | | Crystal structure of human DHODH in complex with inhibitor 0946 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2019-03-08 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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4Q2M
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4Q2L
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6JQH
 | | Crystal structure of MaDA | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | | 著者 | Du, X.X, Lei, X.G. | | 登録日 | 2019-03-31 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
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4PZX
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2014-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2014-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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7LAE
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 | | 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, 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAG
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | 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, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAN
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine | | 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, 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAL
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | | 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, 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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8E5F
 | | Cryo-EM of P. calidifontis cytochrome filament | | 分子名称: | HEME C, c-type cytochrome | | 著者 | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | | 登録日 | 2022-08-22 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
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7VLM
 | | crystal structure of anti-CRISPR protein AcrIIA18 | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, H2C7, ... | | 著者 | Zhang, H, Wang, X.S, Li, X.Z. | | 登録日 | 2021-10-04 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-07-05 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Inhibition mechanisms of CRISPR-Cas9 by AcrIIA17 and AcrIIA18
Nucleic Acids Res., 50, 2022
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4QMF
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6KYF
 | | Crystal structure of an anti-CRISPR protein | | 分子名称: | AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Niu, Y, Wang, H, Zhang, Y, Feng, Y. | | 登録日 | 2019-09-18 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
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8E5G
 | | Cryo-EM of A. veneficus cytochrome filament | | 分子名称: | HEME C, c-type cytochrome | | 著者 | Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H. | | 登録日 | 2022-08-22 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
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8DSV
 | | The structure of NicA2 in complex with N-methylmyosmine | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | | 著者 | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | 登録日 | 2022-07-22 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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8DQ8
 | | The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ... | | 著者 | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | 登録日 | 2022-07-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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8DQ7
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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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4RFR
 | | Complex structure of AlkB/rhein | | 分子名称: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | 著者 | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | | 登録日 | 2014-09-27 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
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3UBB
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4RZC
 | | Fv M6P-1 in complex with mannose-6-phosphate | | 分子名称: | 6-O-phosphono-alpha-D-mannopyranose, Fv M6P-1 heavy chain, Fv M6P-1 light chain, ... | | 著者 | Blackler, R.J, Evans, D.W, Evans, S.V, Muller-Loennies, S. | | 登録日 | 2014-12-19 | | 公開日 | 2015-11-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.723 Å) | | 主引用文献 | Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner.
Glycobiology, 26, 2016
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7JU6
 | | Structure of RET protein tyrosine kinase in complex with selpercatinib | | 分子名称: | FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib | | 著者 | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | 登録日 | 2020-08-19 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural basis of acquired resistance to selpercatinib and pralsetinib mediated by non-gatekeeper RET mutations.
Ann Oncol, 32, 2021
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