5J10
 
 | | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | | 分子名称: | peptide design 2L4HC2_24 | | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | | 登録日 | 2016-03-28 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
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6X0O
 | | Single-Particle Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatis | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB | | 著者 | Tan, Y.Z, Rodrigues, J, Keener, J.E, Zheng, R.B, Brunton, R, Kloss, B, Giacometti, S.I, Rosario, A.L, Zhang, L, Niederweis, M, Clarke, O.B, Lowary, T.L, Marty, M.T, Archer, M, Potter, C.S, Carragher, B, Mancia, F. | | 登録日 | 2020-05-17 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structure of arabinosyltransferase EmbB from Mycobacterium smegmatis.
Nat Commun, 11, 2020
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6NLB
 | | Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo | | 分子名称: | Immunoglobulin G-binding protein G, MAGNESIUM ION | | 著者 | Maniaci, B, Stec, B, Huxford, T. | | 登録日 | 2019-01-08 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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6W98
 | | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria | | 分子名称: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ... | | 著者 | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | | 登録日 | 2020-03-22 | | 公開日 | 2020-05-13 | | 最終更新日 | 2020-06-03 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
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6NL8
 | | Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-zinc | | 分子名称: | CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION | | 著者 | Maniaci, B, Stec, B, Huxford, T. | | 登録日 | 2019-01-08 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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6NL6
 | | Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) | | 分子名称: | CHLORIDE ION, Immunoglobulin G-binding protein G, ZINC ION | | 著者 | Huxford, T, Stec, B, Maniaci, B. | | 登録日 | 2019-01-08 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
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6NWP
 | | Chronic traumatic encephalopathy Type I Tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W. | | 登録日 | 2019-02-07 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules.
Nature, 568, 2019
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6NWQ
 | | Chronic traumatic encephalopathy Type II Tau filament | | 分子名称: | Microtubule-associated protein tau | | 著者 | Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W. | | 登録日 | 2019-02-07 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules.
Nature, 568, 2019
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | 著者 | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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5D6P
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | | 登録日 | 2015-08-12 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
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6BQX
 | | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | | 登録日 | 2017-11-29 | | 公開日 | 2017-12-27 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
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5Z3N
 | | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | | 著者 | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | | 登録日 | 2018-01-08 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
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2CNG
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | 分子名称: | GLYCEROL, MAGNESIUM ION, N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE, ... | | 著者 | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-21 | | 公開日 | 2006-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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8EFU
 | | a22L prion fibril | | 分子名称: | Major prion protein | | 著者 | Hoyt, F, Caughey, B. | | 登録日 | 2022-09-09 | | 公開日 | 2022-11-02 | | 最終更新日 | 2022-11-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM of prion strains from the same genotype of host identifies conformational determinants.
Plos Pathog., 18, 2022
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2LRT
 | | Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus | | 分子名称: | Uncharacterized protein | | 著者 | Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2012-04-13 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus
To be Published
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6O8C
 | | Crystal structure of STING CTT in complex with TBK1 | | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | 著者 | Li, P, Zhao, B, Du, F. | | 登録日 | 2019-03-09 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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6O8B
 | | Crystal structure of STING CTD in complex with TBK1 | | 分子名称: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | 著者 | Li, P, Zhao, B, Du, F. | | 登録日 | 2019-03-09 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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2LS8
 | | Solution structure of human C-type lectin domain family 4 member D | | 分子名称: | C-type lectin domain family 4 member D | | 著者 | Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2012-04-23 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human C-type lectin domain family 4 member D
To be Published
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5DYY
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | | 登録日 | 2015-09-25 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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198D
 | | A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION | | 分子名称: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, SPERMINE | | 著者 | Dautant, A, Langlois D'Estaintot, B, Gallois, B, Brown, T, Hunter, W.N. | | 登録日 | 1994-11-28 | | 公開日 | 1995-03-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | A trigonal form of the idarubicin:d(CGATCG) complex; crystal and molecular structure at 2.0 A resolution.
Nucleic Acids Res., 23, 1995
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5DYW
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Coquelle, N, Brus, B, Colletier, J.P. | | 登録日 | 2015-09-25 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5NRF
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | | 分子名称: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | | 著者 | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | | 登録日 | 2017-04-22 | | 公開日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | | 主引用文献 | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
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6PMJ
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6FER
 | | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | | 分子名称: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | 登録日 | 2018-01-03 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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8INZ
 | | Cryo-EM structure of human HCN3 channel in apo state | | 分子名称: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | | 著者 | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | | 登録日 | 2023-03-10 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
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