3MXR
| SHV-1 beta-lactamase complex with compound 1 | 分子名称: | ({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Ke, W, van den Akker, F. | 登録日 | 2010-05-07 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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3MXS
| SHV-1 beta-lactamase complex with compound 2 | 分子名称: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | 著者 | Ke, W, van den Akker, F. | 登録日 | 2010-05-07 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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4GDB
| SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor | 分子名称: | (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... | 著者 | Ke, W, van den Akker, F. | 登録日 | 2012-07-31 | 公開日 | 2013-07-31 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
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2OV5
| Crystal structure of the KPC-2 carbapenemase | 分子名称: | BICINE, Carbapenemase | 著者 | Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F. | 登録日 | 2007-02-13 | 公開日 | 2007-05-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases. Biochemistry, 46, 2007
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3RXW
| KPC-2 carbapenemase in complex with PSR3-226 | 分子名称: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | 著者 | Ke, W, van den Akker, F. | 登録日 | 2011-05-10 | 公開日 | 2012-03-21 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
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3RXX
| KPC-2 carbapenemase in complex with 3-NPBA | 分子名称: | 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | 著者 | Ke, W, van den Akker, F. | 登録日 | 2011-05-10 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
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4DXC
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3MKE
| SHV-1 beta-lactamase complex with LP06 | 分子名称: | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | 著者 | van den Akker, F, Ke, W. | 登録日 | 2010-04-14 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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3MKF
| SHV-1 beta-lactamase complex with GB0301 | 分子名称: | ({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | van den Akker, F, Ke, W. | 登録日 | 2010-04-14 | 公開日 | 2010-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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4DXB
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6DVR
| Crystal structure of human CARM1 with (R)-SKI-72 | 分子名称: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | 著者 | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-25 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Crystal structure of human CARM1 with (R)-SKI-72 to be published
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3V50
| Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 | 分子名称: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Wei, K, van den Akker, F. | 登録日 | 2011-12-15 | 公開日 | 2012-08-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants. Chemmedchem, 7, 2012
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3V5M
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4GD6
| SHV-1 beta-lactamase in complex with penam sulfone SA1-204 | 分子名称: | (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | van den Akker, F, Wei, K. | 登録日 | 2012-07-31 | 公開日 | 2013-07-31 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
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4GD8
| SHV-1 beta-lactamase in complex with penam sulfone SA3-53 | 分子名称: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Pattanaik, P, van den Akker, F. | 登録日 | 2012-07-31 | 公開日 | 2013-07-31 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
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3OPL
| ESBL R164H mutant SHV-1 beta-lactamase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Sampson, J.M, van den Akker, F. | 登録日 | 2010-09-01 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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3OPR
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3OPP
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3OPH
| ESBL R164S mutant of SHV-1 beta-lactamase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Sampson, J.M, van den Akker, F. | 登録日 | 2010-09-01 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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6D2L
| Crystal structure of human CARM1 with (S)-SKI-72 | 分子名称: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2018-04-13 | 公開日 | 2018-05-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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