8SZJ
 
 | | Human glutaminase C (Y466W) with L-Gln and Pi, filamentous form | | 分子名称: | GLUTAMINE, Glutaminase kidney isoform, mitochondrial, ... | | 著者 | Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. | | 登録日 | 2023-05-29 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024
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8T0Z
 | | Human liver-type glutaminase (K253A) with L-Gln, filamentous form | | 分子名称: | GLUTAMINE, Glutaminase liver isoform, mitochondrial | | 著者 | Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. | | 登録日 | 2023-06-01 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024
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8SZL
 | | Human liver-type glutaminase (Apo form) | | 分子名称: | Glutaminase liver isoform, mitochondrial | | 著者 | Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. | | 登録日 | 2023-05-30 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024
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3QBQ
 | | Crystal structure of extracellular domains of mouse RANK-RANKL complex | | 分子名称: | Tumor necrosis factor ligand superfamily member 11, Tumor necrosis factor receptor superfamily member 11A | | 著者 | Ta, H.M, Nguyen, G.T.T, Jin, H.M, Choi, J.K, Park, H, Kim, N.S, Hwang, H.Y, Kim, K.K. | | 登録日 | 2011-01-13 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based development of a receptor activator of nuclear factor-kappaB ligand (RANKL) inhibitor peptide and molecular basis for osteopetrosis
Proc.Natl.Acad.Sci.USA, 107, 2010
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4BV3
 | | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | | 著者 | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | | 登録日 | 2013-06-24 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVG
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | | 分子名称: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | | 著者 | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | 登録日 | 2013-06-25 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4HD8
 | | Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol | | 分子名称: | Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ... | | 著者 | Nguyen, G.T.T, Gertz, M, Steegborn, C. | | 登録日 | 2012-10-02 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A molecular mechanism for direct sirtuin activation by resveratrol.
Plos One, 7, 2012
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7X3N
 | | Crystal structure of anti-mPEG h15-2b Fab | | 分子名称: | 15-2b-H, 15-2b-L, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | | 著者 | Chang, C.Y, Nguyen, T.M.T, Toh, S.I, Su, Y.C. | | 登録日 | 2022-03-01 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group
Commun Chem, 5, 2022
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6T5I
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | | 分子名称: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | 著者 | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | | 登録日 | 2019-10-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
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7RGG
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | | 分子名称: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | | 著者 | Milano, S.K, Finke, A, Cerione, R.A. | | 登録日 | 2021-07-15 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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7REN
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | | 分子名称: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Milano, S.K, Finke, A, Cerione, R.A. | | 登録日 | 2021-07-13 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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7AJ0
 | | Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp. | | 分子名称: | Arylsulfatase, CALCIUM ION, CHLORIDE ION | | 著者 | Roret, T, Mikkelsen, M.D, Czjzek, M, Meyer, A.S. | | 登録日 | 2020-09-28 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A novel thermostable prokaryotic fucoidan active sulfatase PsFucS1 with an unusual quaternary hexameric structure.
Sci Rep, 11, 2021
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7L8P
 | | Integrin alphaIIbbeta3 in complex with sibrafiban | | 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, CALCIUM ION, ... | | 著者 | Lin, F.-Y, Springer, T.A. | | 登録日 | 2020-12-31 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.34995365 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | 登録日 | 2020-09-17 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | 分子名称: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | 登録日 | 2020-09-17 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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3FDK
 | | Crystal structure of hydrolase DR0930 with promiscuous catalytic activity | | 分子名称: | HYDROLASE DR0930, ZINC ION | | 著者 | Fedorov, A.A, Fedorov, L.V, Xiang, D.F, Raushel, F.M, Almo, S.C. | | 登録日 | 2008-11-25 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily.
Biochemistry, 48, 2009
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8P58
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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8P86
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM MG-132, from an "old" crystal. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-31 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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8P57
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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8P55
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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8P5A
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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8P87
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2023-05-31 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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7PHZ
 | | Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1). | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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7TCT
 | | Integrin alaphIIBbeta3 complex with UR2922 | | 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, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2021-12-28 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TD8
 | | Integrin alaphIIBbeta3 complex with Tirofiban | | 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, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2021-12-30 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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