6TLK
 
 | | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT | | 分子名称: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ... | | 著者 | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | | 登録日 | 2019-12-02 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
|
|
6TM3
 | | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT | | 分子名称: | 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ... | | 著者 | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | | 登録日 | 2019-12-03 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
|
|
5T61
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, HYDROSULFURIC ACID, ... | | 著者 | Wagner, T, Ermler, U, Shima, S. | | 登録日 | 2016-09-01 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
|
|
5T5I
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | | 著者 | Wagner, T, Ermler, U, Shima, S. | | 登録日 | 2016-08-31 | | 公開日 | 2016-10-19 | | 最終更新日 | 2016-12-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
|
|
5T5M
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRIGONAL FORM AT 2.5 A. | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, GLYCEROL, HYDROSULFURIC ACID, ... | | 著者 | Wagner, T, Ermler, U, Shima, S. | | 登録日 | 2016-08-31 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
|
|
6MLE
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) from Salmonella typhimurium complexed with arginine | | 分子名称: | ACETATE ION, ARGININE, Lysine/arginine/ornithine-binding periplasmic protein | | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | 登録日 | 2018-09-27 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.858 Å) | | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
|
|
1JOF
 | | Neurospora crassa 3-carboxy-cis,cis-mucoante lactonizing enzyme | | 分子名称: | BETA-MERCAPTOETHANOL, CARBOXY-CIS,CIS-MUCONATE CYCLASE, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | 著者 | Kajander, T, Merckel, M.C, Thompson, A, Deacon, A.M, Mazur, P, Kozarich, J.W, Goldman, A. | | 登録日 | 2001-07-28 | | 公開日 | 2002-04-12 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structure of Neurospora crassa 3-carboxy-cis,cis-muconate lactonizing enzyme, a beta propeller cycloisomerase.
Structure, 10, 2002
|
|
6MW0
 | | Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A. | | 分子名称: | METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A | | 著者 | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | | 登録日 | 2018-10-29 | | 公開日 | 2019-09-11 | | 実験手法 | X-RAY DIFFRACTION (0.78 Å) | | 主引用文献 | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
|
|
4P4X
 | |
1HII
 | |
3K5G
 | | Human bace-1 complex with bjc060 | | 分子名称: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3K5D
 | | Crystal Structure of BACE-1 in complex with AHM178 | | 分子名称: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3K5F
 | | Human BACE-1 COMPLEX WITH AYH011 | | 分子名称: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-05-05 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
1HIH
 | |
3K5C
 | | Human BACE-1 complex with NB-216 | | 分子名称: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-03-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3RFR
 | |
1QLM
 | |
2F3F
 | | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | | 分子名称: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2005-11-21 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
|
|
2F3E
 | | Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Rondeau, J.-M. | | 登録日 | 2005-11-21 | | 公開日 | 2006-09-05 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
|
|
3QBH
 | | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors | | 分子名称: | (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1 | | 著者 | Rondeau, J.M. | | 登録日 | 2011-01-13 | | 公開日 | 2011-03-23 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3PI5
 | | Crystal Structure of Human Beta Secretase in Complex with BFG356 | | 分子名称: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M. | | 登録日 | 2010-11-05 | | 公開日 | 2011-03-23 | | 最終更新日 | 2017-03-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
1YM2
 | | Crystal structure of human beta secretase complexed with NVP-AUR200 | | 分子名称: | Beta-secretase 1, NVP-AUR200 INHIBITOR | | 著者 | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | | 登録日 | 2005-01-20 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
|
|
7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | 分子名称: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | 著者 | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | 登録日 | 2022-03-30 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
|
|
1YM4
 | | Crystal structure of human beta secretase complexed with NVP-AMK640 | | 分子名称: | Beta-secretase 1, NVP-AMK640 INHIBITOR | | 著者 | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | | 登録日 | 2005-01-20 | | 公開日 | 2006-01-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
|
|
4LPG
 | | Crystal structure of human FPPS in complex with CL01131 | | 分子名称: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | | 著者 | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2013-07-16 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
|
|
