8E5W
 
 | | Crystal structure of dehydroalanine Hip1 | | 分子名称: | DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ... | | 著者 | Goldfarb, N.E, Brooks, C.L, Ostrov, D.A. | | 登録日 | 2022-08-22 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
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7RRM
 | | Structure of the human TMED1 (p24gamma1) Golgi dynamics Domain | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Transmembrane emp24 domain-containing protein 1 | | 著者 | Mota, D.C.A.M, Cardoso, I.A, Mori, R.M, Mendes, L.F.S, Nonato, M.C, Filho, A.J.C. | | 登録日 | 2021-08-10 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structural and thermodynamic analyses of human TMED1 (p24 gamma 1) Golgi dynamics.
Biochimie, 192, 2022
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3SI7
 | | The crystal structure of the NBD1 domain of the mouse CFTR protein, deltaF508 mutant | | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | 著者 | Brautigam, C.A, Caspa, E, Thomas, P.J. | | 登録日 | 2011-06-17 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Requirements for efficient correction of DeltaF508 CFTR revealed by analyses of evolved sequences
Cell(Cambridge,Mass.), 148, 2012
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5MJG
 | | Single-shot pink beam serial crystallography: Thaumatin | | 分子名称: | S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1 | | 著者 | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | | 登録日 | 2016-12-01 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Single-shot pink beam serial crystallography: Thaumatin
To Be Published
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8DQJ
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (AST) bound to ATP and acridone | | 分子名称: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | 登録日 | 2022-07-19 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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3B7T
 | | [E296Q]LTA4H in complex with Arg-Ala-Arg substrate | | 分子名称: | IMIDAZOLE, Leukotriene A-4 hydrolase, RAR peptide, ... | | 著者 | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | 登録日 | 2007-10-31 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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8E3V
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1V0A
 | | Family 11 Carbohydrate-Binding Module of cellulosomal cellulase Lic26A-Cel5E of Clostridium thermocellum | | 分子名称: | CALCIUM ION, ENDOGLUCANASE H, SULFATE ION | | 著者 | Carvalho, A.L, Romao, M.J, Goyal, A, Prates, J.A.M, Pires, V.M.R, Ferreira, L.M.A, Bolam, D.N, Gilbert, H.J, Fontes, C.M.G.A. | | 登録日 | 2004-03-25 | | 公開日 | 2005-01-12 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | The Family 11 Carbohydrate-Binding Module of Clostridium Thermocellum Lic26A-Cel5E Accomodates Beta-1,4- and Beta-1,3-1,4-Mixed Linked Glucans at a Single Binding Site
J.Biol.Chem., 279, 2004
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7RMI
 | | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | 登録日 | 2021-07-27 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-01-05 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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7RMG
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | 登録日 | 2021-07-27 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-01-05 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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3BH8
 | | Crystal Structure of RQA_M Phosphopeptide Bound to HUMAN Class I MHC HLA-A2 | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E. | | 登録日 | 2007-11-28 | | 公開日 | 2008-10-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
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3SLJ
 | | Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | | 著者 | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | | 登録日 | 2011-06-24 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.481 Å) | | 主引用文献 | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
J.Mol.Biol., 415, 2012
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4MHA
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | | 分子名称: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | 登録日 | 2013-08-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
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3BJH
 | | Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L. | | 分子名称: | GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | | 著者 | Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C. | | 登録日 | 2007-12-04 | | 公開日 | 2007-12-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.
J.Biol.Chem., 279, 2004
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4MCW
 | | Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, IMIDAZOLE, ... | | 著者 | Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF) | | 登録日 | 2013-08-21 | | 公開日 | 2014-02-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Mol.Microbiol., 91, 2014
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7RFU
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFW
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (1.729 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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3SS9
 | | Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.97 A resolution | | 分子名称: | D-serine dehydratase, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D. | | 登録日 | 2011-07-08 | | 公開日 | 2012-01-18 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
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7RFS
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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5MHF
 | | Murine endoplasmic reticulum alpha-glucosidase I with N-9'-methoxynonyl-1-deoxynojirimycin. | | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mannosyl-oligosaccharide glucosidase, ... | | 著者 | Hill, J.C, Caputo, A.T, Roversi, P, Zitzmann, N. | | 登録日 | 2016-11-24 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting Endoplasmic Reticulum alpha-Glucosidase I with a Single-Dose Iminosugar Treatment Protects against Lethal Influenza and Dengue Virus Infections.
J.Med.Chem., 2020
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5MKC
 | | Crystal structure of the RrgA Jo.In complex | | 分子名称: | CALCIUM ION, Cell wall surface anchor family protein (Jo),Cell wall surface anchor family protein (In), NICKEL (II) ION, ... | | 著者 | Bonnet, J, Cartannaz, J, Tourcier, G, Contreras-Martel, C, Kleman, J.P, Fenel, D, Schoehn, G, Morlot, C, Vernet, T, Di Guilmi, A.M. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Autocatalytic association of proteins by covalent bond formation: a Bio Molecular Welding toolbox derived from a bacterial adhesin.
Sci Rep, 7, 2017
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3SU0
 | | Crystal structure of NS3/4A protease variant R155K in complex with danoprevir | | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ... | | 著者 | Schiffer, C.A, Romano, K.P. | | 登録日 | 2011-07-11 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.159 Å) | | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
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4MK7
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5MQ1
 | | Crystal structure of the BRD7 bromodomain in complex with BI-9564 | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ... | | 著者 | Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | 登録日 | 2016-12-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
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3SU5
 | | Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir | | 分子名称: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ... | | 著者 | Schiffer, C.A, Romano, K.P. | | 登録日 | 2011-07-11 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
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