2AI8
 
 | | E.coli Polypeptide Deformylase complexed with SB-485343 | | 分子名称: | NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | | 著者 | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | 登録日 | 2005-07-29 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
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2AIE
 | | S.pneumoniae polypeptide deformylase complexed with SB-505684 | | 分子名称: | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE, NICKEL (II) ION, Peptide deformylase, ... | | 著者 | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | 登録日 | 2005-07-29 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
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2AI7
 | | S.pneumoniae Polypeptide Deformylase complexed with SB-485345 | | 分子名称: | NICKEL (II) ION, Peptide deformylase, SULFATE ION, ... | | 著者 | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | 登録日 | 2005-07-29 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species
Protein Sci., 12, 2003
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2AI9
 | | S.aureus Polypeptide Deformylase | | 分子名称: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | 著者 | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | 登録日 | 2005-07-29 | | 公開日 | 2005-09-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
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5SVZ
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3IRW
 | | Structure of a c-di-GMP riboswitch from V. cholerae | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | | 著者 | Smith, K.D. | | 登録日 | 2009-08-24 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of ligand binding by a c-di-GMP riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
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3Q3Z
 | | Structure of a c-di-GMP-II riboswitch from C. acetobutylicum bound to c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, c-di-GMP-II riboswitch | | 著者 | Smith, K.D, Shanahan, C.A, Moore, E.L, Simon, A.C, Strobel, S.A. | | 登録日 | 2010-12-22 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structural basis of differential ligand recognition by two classes of bis-(3'-5')-cyclic dimeric guanosine monophosphate-binding riboswitches.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6X6N
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8APY
 | | Crystal structure of the H12A variant of the KDEL receptor bound to sybody | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ER lumen protein-retaining receptor 2, Synthetic nanobody | | 著者 | Parker, J.L, Smith, K, Newstead, S. | | 登録日 | 2022-08-10 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Molecular basis for pH sensing in the KDEL trafficking receptor.
Structure, 32, 2024
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3ETC
 | | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | | 著者 | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | | 登録日 | 2008-10-07 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates.
Proteins, 77, 2009
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6RPA
 | | Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | | 登録日 | 2019-05-14 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
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6RP9
 | | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | | 分子名称: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | | 著者 | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | | 登録日 | 2019-05-14 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
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6RPB
 | | Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | | 登録日 | 2019-05-14 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
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2XHD
 | | Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor | | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P. | | 登録日 | 2010-06-14 | | 公開日 | 2010-07-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
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3SW8
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7JJM
 | | Crystal structure of Importin alpha 2 in complex with LSD1 NLS | | 分子名称: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | | 著者 | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | | 登録日 | 2020-07-27 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
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7BKW
 | | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
To Be Published
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7BKV
 | | Endothiapepsin structure obtained at 100K with fragment AC39729 bound | | 分子名称: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
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7BKS
 | | 100K endothiapepsin structure obtained in presence of 40 mM DMSO | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | 100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
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7BKU
 | | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
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7RXY
 | | Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 5 mol% | | 分子名称: | Lysozyme C, NITRATE ION | | 著者 | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | | 登録日 | 2021-08-24 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
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7RYD
 | | Hen egg-white lysozyme with ionic liquid butylammonium nitrate 1 mol% | | 分子名称: | Lysozyme C, NITRATE ION | | 著者 | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | | 登録日 | 2021-08-25 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
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7RYK
 | | Hen egg-white lysozyme with ionic liquid ethanolammonium nitrate 1 mol% | | 分子名称: | Lysozyme C, NITRATE ION | | 著者 | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | | 登録日 | 2021-08-25 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
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7JK7
 | | Crystal structure of Importin alpha 2 in complex with LSD1 NLS S111E mutant | | 分子名称: | GLYCEROL, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | | 著者 | Tu, W.J, McCuaig, R, Tan, A.H.Y, Hardy, K, Seddiki, N, Ali, S, Dahlstron, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | | 登録日 | 2020-07-27 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
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7JMU
 | | Hen egg-white lysozyme with ionic liquid ethylammonium nitrate | | 分子名称: | Lysozyme C, NITRATE ION | | 著者 | Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. | | 登録日 | 2020-08-02 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study.
J Colloid Interface Sci, 585, 2021
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