1V4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1v4l by Molmil](/molmil-images/mine/1v4l) | |
6B3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3h by Molmil](/molmil-images/mine/6b3h) | Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | 分子名称: | CHLORIDE ION, HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide | 著者 | Su, H.P. | 登録日 | 2017-09-21 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
6B36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b36 by Molmil](/molmil-images/mine/6b36) | |
6B3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3c by Molmil](/molmil-images/mine/6b3c) | |
4E8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e8d by Molmil](/molmil-images/mine/4e8d) | Crystal structure of streptococcal beta-galactosidase | 分子名称: | GLYCEROL, Glycosyl hydrolase, family 35 | 著者 | Cheng, W, Wang, L, Bai, X.H, Jiang, Y.L, Li, Q, Yu, G, Zhou, C.Z, Chen, Y.X. | 登録日 | 2012-03-20 | 公開日 | 2012-05-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into the substrate specificity of Streptococcus pneumoniae beta (1,3)-galactosidase BgaC J.Biol.Chem., 287, 2012
|
|
4E8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e8c by Molmil](/molmil-images/mine/4e8c) | Crystal structure of streptococcal beta-galactosidase in complex with galactose | 分子名称: | GLYCEROL, Glycosyl hydrolase, family 35, ... | 著者 | Cheng, W, Wang, L, Bai, X.H, Jiang, Y.L, Li, Q, Yu, G, Zhou, C.Z, Chen, Y.X. | 登録日 | 2012-03-20 | 公開日 | 2012-05-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural insights into the substrate specificity of Streptococcus pneumoniae beta (1,3)-galactosidase BgaC J.Biol.Chem., 287, 2012
|
|
7XBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbs by Molmil](/molmil-images/mine/7xbs) | Crystal structure of the adenylation domain of CmnG | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CmnG | 著者 | Chen, I.H, Wang, Y.L, Chang, C.Y. | 登録日 | 2022-03-22 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis. Chembiochem, 23, 2022
|
|
7XBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbu by Molmil](/molmil-images/mine/7xbu) | Crystal structure of the adenylation domain of CmnG in complex with capreomycidine | 分子名称: | (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid, CmnG | 著者 | Chen, I.H, Wang, Y.L, Chang, C.Y. | 登録日 | 2022-03-22 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis. Chembiochem, 23, 2022
|
|
7XBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbv by Molmil](/molmil-images/mine/7xbv) | Crystal structure of the adenylation domain of CmnG in complex with AMPCPP | 分子名称: | CmnG, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION | 著者 | Chen, I.H, Wang, Y.L, Chang, C.Y. | 登録日 | 2022-03-22 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis. Chembiochem, 23, 2022
|
|
7XBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbt by Molmil](/molmil-images/mine/7xbt) | Crystal structure of the adenylation domain of CmnG in complex with AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, CmnG, MAGNESIUM ION | 著者 | Chen, I.H, Wang, Y.L, Chang, C.Y. | 登録日 | 2022-03-22 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis. Chembiochem, 23, 2022
|
|
6WEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6web by Molmil](/molmil-images/mine/6web) | Multi-Hit SFX using MHz XFEL sources | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Holmes, S, Darmanin, C, Abbey, B. | 登録日 | 2020-04-01 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
|
|
6WEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wec by Molmil](/molmil-images/mine/6wec) | Multi-Hit SFX using MHz XFEL sources | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Holmes, S, Darmanin, C, Abbey, B. | 登録日 | 2020-04-01 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
|
|
2BFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bfe by Molmil](/molmil-images/mine/2bfe) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bfd by Molmil](/molmil-images/mine/2bfd) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bfc by Molmil](/molmil-images/mine/2bfc) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2beu by Molmil](/molmil-images/mine/2beu) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-30 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bew by Molmil](/molmil-images/mine/2bew) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-30 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bff by Molmil](/molmil-images/mine/2bff) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-12-06 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
2BEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bev by Molmil](/molmil-images/mine/2bev) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-30 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
1WCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wci by Molmil](/molmil-images/mine/1wci) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-16 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
|
|
7PXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pxz by Molmil](/molmil-images/mine/7pxz) | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | 登録日 | 2021-10-08 | 公開日 | 2023-01-18 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
|
|
7PZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzq by Molmil](/molmil-images/mine/7pzq) | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | 登録日 | 2021-10-13 | 公開日 | 2023-01-25 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
|
|
8DD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dd5 by Molmil](/molmil-images/mine/8dd5) | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | 分子名称: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | 著者 | Greasley, S.E, Johnson, E, Brodsky, O. | 登録日 | 2022-06-17 | 公開日 | 2023-07-05 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363 To Be Published
|
|
4V1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v1i by Molmil](/molmil-images/mine/4v1i) | Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 at medium resolution | 分子名称: | CARBOHYDRATE BINDING MODULE | 著者 | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | 登録日 | 2014-09-26 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4V1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v1l by Molmil](/molmil-images/mine/4v1l) | High resolution structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | 分子名称: | CARBOHYDRATE BINDING MODULE, GLYCEROL, HEXAETHYLENE GLYCOL, ... | 著者 | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | 登録日 | 2014-09-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|