5E0X
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol | | 分子名称: | 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.014 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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7MKZ
 | | PTP1B F225Y mutant, open state | | 分子名称: | CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-04-27 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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7MOV
 | | PTP1B 1-301 F225Y-R199N mutations | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Torgeson, K.R, Page, R, Peti, W. | | 登録日 | 2021-05-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
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5E0O
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5E14
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol | | 分子名称: | 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DJY
 | | Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A | | 分子名称: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | 登録日 | 2015-09-02 | | 公開日 | 2016-03-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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2F6I
 | | Crystal structure of the ClpP protease catalytic domain from Plasmodium falciparum | | 分子名称: | ATP-dependent CLP protease, putative | | 著者 | Mulichak, A, Loppnau, P, Bray, J, Amani, M, Vedadi, M, Wasney, G, Finerty, P, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Hui, R, Plotnikova, O, Structural Genomics Consortium (SGC) | | 登録日 | 2005-11-29 | | 公開日 | 2005-12-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Clp chaperones and proteases of the human malaria parasite Plasmodium falciparum.
J.Mol.Biol., 404, 2010
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2HAQ
 | | Crystal Structure of Cyclophilin A from Leishmania Donovani | | 分子名称: | Cyclophilin | | 著者 | Venugopal, V, Sen, B, Datta, A.K, Banerjee, R. | | 登録日 | 2006-06-13 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structure of cyclophilin from Leishmania donovani at 1.97 A resolution.
Acta Crystallogr.,Sect.F, 63, 2007
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5E8E
 | | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | 著者 | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | | 登録日 | 2015-10-14 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and characterization of an antibody directed against exosite I of thrombin.
J.Thromb.Haemost., 14, 2016
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5DMF
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol | | 分子名称: | 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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2CA5
 | | MxiH needle protein of Shigella Flexneri (monomeric form, residues 1- 78) | | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, MXIH, ... | | 著者 | Deane, J.E, Roversi, P, Cordes, F.S, Johnson, S, Kenjale, R, Picking, W.L, Picking, W.D, Blocker, A.J, Lea, S.M. | | 登録日 | 2005-12-16 | | 公開日 | 2006-08-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular Model of a Type III Secretion System Needle: Implications for Host-Cell Sensing
Proc.Natl.Acad.Sci.USA, 103, 2006
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5DUH
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DVO
 | | Fc K392D/K409D homodimer | | 分子名称: | Ig gamma-1 chain C region, SULFATE ION | | 著者 | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | 登録日 | 2015-09-21 | | 公開日 | 2016-03-30 | | 最終更新日 | 2016-04-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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2PWH
 | | Crystal structure of the trehalulose synthase MutB from Pseudomonas mesoacidophila MX-45 | | 分子名称: | CALCIUM ION, Sucrose isomerase | | 著者 | Ravaud, S, Robert, X, Haser, R, Aghajari, N. | | 登録日 | 2007-05-11 | | 公開日 | 2007-06-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
J.Biol.Chem., 61, 2007
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7MDC
 | | Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Velilla, J.A, Volpe, M.R, Gaudet, R. | | 登録日 | 2021-04-03 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A small molecule inhibitor prevents gut bacterial genotoxin production.
Nat.Chem.Biol., 19, 2023
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7MDE
 | | Full-length S95A ClbP | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Velilla, J.A, Volpe, M.R, Gaudet, R. | | 登録日 | 2021-04-04 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
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7MDF
 | | Full-length S95A ClbP bound to N-acyl-D-asparagine analog | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Velilla, J.A, Volpe, M.R, Gaudet, R. | | 登録日 | 2021-04-04 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
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5DTE
 | | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose | | 分子名称: | Monosaccharide-transporting ATPase, beta-D-allopyranose | | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2015-09-18 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose
To be published
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5DUG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.252 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZ1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol | | 分子名称: | 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-25 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DXM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol | | 分子名称: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-23 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E11
 | | Second PDZ domain of Ligand of Numb protein X 2 by Laue crystallography (no electric field) | | 分子名称: | Ligand of Numb protein X 2 | | 著者 | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | | 登録日 | 2015-09-29 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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2H6X
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5E22
 | | The second PDZ domain of Ligand of Numb protein X 2 in the presence of an electric field of ~1 MV/cm along the crystallographic x axis, with eightfold extrapolation of structure factor differences. | | 分子名称: | GLYCEROL, Ligand of Numb protein X 2 | | 著者 | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | | 登録日 | 2015-09-30 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | | 主引用文献 | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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3U59
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