6OIS
| CryoEM structure of Arabidopsis DR complex (DMS3-RDM1) | 分子名称: | Protein DEFECTIVE IN MERISTEM SILENCING 3, Protein RDM1 | 著者 | Wongpalee, S.P, Liu, S, Zhou, Z.H, Jacobsen, S.E. | 登録日 | 2019-04-09 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | CryoEM structures of Arabidopsis DDR complexes involved in RNA-directed DNA methylation. Nat Commun, 10, 2019
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5FBN
| BTK kinase domain with inhibitor 1 | 分子名称: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | 著者 | Raaijmakers, H.C.A, Vu-Pham, D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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6OL1
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5FAO
| CTX-M-15 in complex with FPI-1465 | 分子名称: | Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-02-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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3AVC
| Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | 分子名称: | ACETIC ACID, CHLORIDE ION, Integrase, ... | 著者 | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | 登録日 | 2011-03-02 | 公開日 | 2012-01-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site. Chembiochem, 12, 2011
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5FAT
| OXA-48 in complex with FPI-1602 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-12 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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6OL7
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6OLT
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | 著者 | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | 登録日 | 2019-04-17 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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5FBO
| BTK-inhibitor co-structure | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | 著者 | Fischmann, T.O. | 登録日 | 2015-12-14 | 公開日 | 2016-03-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. ACS Med Chem Lett, 7, 2016
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5FAS
| OXA-48 in complex with FPI-1523 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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6OKC
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | 著者 | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | 登録日 | 2019-04-12 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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2BLM
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6OKG
| Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | 著者 | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | 登録日 | 2019-04-12 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OY4
| Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1 | 分子名称: | Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ... | 著者 | Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M. | 登録日 | 2019-05-14 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy. J Immunol., 203, 2019
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6O8I
| BTK In Complex With Inhibitor | 分子名称: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | 著者 | Pokross, M, Tebben, A.J, Watterson, S.H. | 登録日 | 2019-03-11 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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6OCB
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2BX2
| Catalytic domain of E. coli RNase E | 分子名称: | MAGNESIUM ION, RIBONUCLEASE E, RNA (5'-R(*UP*UP*UP*AP*CP*AP*GP*UP*AP*UP*UP* UP*GP*UP*U)-3'), ... | 著者 | Marcaida, M.J, Callaghan, A.J, Scott, W.G, Luisi, B.F. | 登録日 | 2005-07-21 | 公開日 | 2005-10-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover Nature, 437, 2005
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2C6U
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6NPP
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6NSE
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, CANAVANINE COMPLEX | 分子名称: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | 著者 | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | 登録日 | 1999-01-13 | 公開日 | 2002-05-29 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
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2C0B
| Catalytic domain of E. coli RNase E in complex with 13-mer RNA | 分子名称: | 5'-R(*UP*UP*UP*AP*CP*AP*GP*UP*AP*UP*UP*UP*G)-3', MAGNESIUM ION, RIBONUCLEASE E, ... | 著者 | Marcaida, M.J, Callaghan, A.J, Scott, W.G, Luisi, B.F. | 登録日 | 2005-08-30 | 公開日 | 2005-10-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover Nature, 437, 2005
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5ELN
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6NUX
| CD1a-lipid binary complex | 分子名称: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | 登録日 | 2019-02-03 | 公開日 | 2020-01-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Human T cell response to CD1a and contact dermatitis allergens in botanical extracts and commercial skin care products. Sci Immunol, 5, 2020
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5EE4
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5EEQ
| Grb7 SH2 with the G7-B1 bicyclic peptide inhibitor | 分子名称: | Bicyclic Peptide Inhibitor, Growth factor receptor-bound protein 7, PHOSPHATE ION | 著者 | Ambaye, N.D, Watson, G.M, Wilce, M.C.J, Wilce, G.M. | 登録日 | 2015-10-23 | 公開日 | 2016-06-15 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7. Sci Rep, 6, 2016
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