7SMT
 
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine and carbachol | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7PDW
 | | Crystal structure of parent TCR (728) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide | | 分子名称: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | | 著者 | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | | 登録日 | 2021-08-09 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
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7SMS
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | 著者 | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | 登録日 | 2021-10-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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4Q09
 | | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2014-04-01 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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6EXM
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-11-08 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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1JE8
 | | Two-Component response regulator NarL/DNA Complex: DNA Bending Found in a High Affinity Site | | 分子名称: | 5'-D(*CP*GP*TP*AP*CP*CP*CP*AP*TP*TP*AP*AP*TP*GP*GP*GP*TP*AP*CP*G)-3', Nitrate/Nitrite Response Regulator Protein NARL, SULFATE ION | | 著者 | Maris, A.E, Sawaya, M.R, Kaczor-Grzeskowiak, M, Jarvis, M.R, Bearson, S.M.D, Kopka, M.L, Schroder, I, Gunsalus, R.P, Dickerson, R.E. | | 登録日 | 2001-06-15 | | 公開日 | 2002-09-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Dimerization allows DNA target site recognition by the NarL response regulator.
Nat.Struct.Biol., 9, 2002
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | 分子名称: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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6Y58
 | | Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide | | 分子名称: | 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION | | 著者 | Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C. | | 登録日 | 2020-02-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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5F2Z
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | | 分子名称: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | 登録日 | 2015-12-02 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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5IG7
 | | Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPQQPFP | | 分子名称: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ... | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-02-27 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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6YOM
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn and Mg | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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1RRE
 | | Crystal structure of E.coli Lon proteolytic domain | | 分子名称: | ATP-dependent protease La, SULFATE ION | | 著者 | Botos, I, Melnikov, E.E, Cherry, S, Tropea, J.E, Khalatova, A.G, Rasulova, F, Dauter, Z, Maurizi, M.R, Rotanova, T.V, Wlodawer, A, Gustchina, A. | | 登録日 | 2003-12-08 | | 公開日 | 2004-02-03 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The catalytic domain of Escherichia coli Lon protease has a unique fold and a Ser-Lys dyad in the active site
J.Biol.Chem., 279, 2004
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6YDP
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5I75
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site | | 分子名称: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Coleman, J.A, Green, E.M, Gouaux, E. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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8SVS
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 | | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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8SVX
 | | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 | | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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1JDZ
 | | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION | | 分子名称: | 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, FORMYCIN B, SULFATE ION | | 著者 | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | 登録日 | 2001-06-15 | | 公開日 | 2001-10-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
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7PZT
 | | Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase | | 著者 | Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
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7Q3J
 | | Computationally designed thioredoxin subjected to stability optimizing mutations. | | 分子名称: | GLYCEROL, MM9 | | 著者 | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | | 登録日 | 2021-10-27 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
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6OYZ
 | | Crystal structure of MraY bound to capuramycin | | 分子名称: | (2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | 著者 | Mashalidis, E.H, Lee, S.Y. | | 登録日 | 2019-05-15 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | | 主引用文献 | Chemical logic of MraY inhibition by antibacterial nucleoside natural products.
Nat Commun, 10, 2019
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5ID4
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7STI
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7STJ
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6Y6S
 | | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8 | | 分子名称: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 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 | Deane, J.E, McLoughlin, J. | | 登録日 | 2020-02-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase.
Acs Med.Chem.Lett., 12, 2021
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6UT2
 | | 3D structure of the leiomodin/tropomyosin binding interface | | 分子名称: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | | 著者 | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | | 登録日 | 2019-10-29 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments.
Plos Biol., 18, 2020
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