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6EJ2
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BACE1 compound 28
分子名称: Beta-secretase 1, compound 28
著者Johansson, P.
登録日2017-09-20
公開日2018-04-18
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
6EJ3
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BACE1 compound 23
分子名称: (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1
著者Johansson, P.
登録日2017-09-20
公開日2018-04-18
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
3HMJ
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Saccharomyces cerevisiae FAS type I
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, FLAVIN MONONUCLEOTIDE, ...
著者Johansson, P, Mulinacci, B, Koestler, C, Vollrath, R, Oesterhelt, D, Grininger, M.
登録日2009-05-29
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Multimeric options for the auto-activation of the Saccharomyces cerevisiae FAS type I megasynthase
Structure, 17, 2009
4AJG
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Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJD
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Identification and structural characterization of PDE10 fragment inhibitors
分子名称: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJF
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Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
1UMZ
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Xyloglucan endotransglycosylase in complex with the xyloglucan nonasaccharide XLLG.
分子名称: XYLOGLUCAN ENDOTRANSGLYCOSYLASE, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Johansson, P, Brumer, H, Kallas, A.M, Henriksson, H, Denman, S.E, Teeri, T.T, Jones, T.A.
登録日2003-09-03
公開日2004-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding
Plant Cell, 16, 2004
1UN1
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Xyloglucan endotransglycosylase native structure.
分子名称: GOLD ION, XYLOGLUCAN ENDOTRANSGLYCOSYLASE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Johansson, P, Brumer, H, Kallas, A, Henriksson, H, Denman, S, Teeri, T.T, Jones, T.A.
登録日2003-09-03
公開日2004-03-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding
Plant Cell, 16, 2004
2VKZ
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BU of 2vkz by Molmil
Structure of the cerulenin-inhibited fungal fatty acid synthase type I multienzyme complex
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, FATTY ACID SYNTHASE SUBUNIT ALPHA, ...
著者Johansson, P, Wiltschi, B, Kumari, P, Kessler, B, Vonrhein, C, Vonck, J, Oesterhelt, D, Grininger, M.
登録日2008-01-07
公開日2008-08-12
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Inhibition of the Fungal Fatty Acid Synthase Type I Multienzyme Complex.
Proc.Natl.Acad.Sci.USA, 105, 2008
2BNG
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BU of 2bng by Molmil
Structure of an M.tuberculosis LEH-like epoxide hydrolase
分子名称: CALCIUM ION, MB2760
著者Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2005-03-24
公開日2005-08-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
J.Mol.Biol., 351, 2005
2C2I
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BU of 2c2i by Molmil
Structure and function of Rv0130, a conserved hypothetical protein from M.tuberculosis
分子名称: RV0130
著者Johansson, P, Castell, A, Jones, T.A, Backbro, K.
登録日2005-09-29
公開日2006-09-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function of Rv0130, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis.
Protein Sci., 15, 2006
2WAT
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BU of 2wat by Molmil
Structure of the fungal type I FAS PPT domain in complex with CoA
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE, CHLORIDE ION, COENZYME A, ...
著者Johansson, P, Mulincacci, B, Koestler, C, Grininger, M.
登録日2009-02-15
公開日2009-08-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multimeric Options for the Auto-Activation of the Saccharomyces Cerevisiae Fas Type I Megasynthase.
Structure, 17, 2009
2WAS
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BU of 2was by Molmil
Structure of the fungal type I FAS PPT domain
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE
著者Johansson, P, Mulincacci, B, Koestler, C, Grininger, M.
登録日2009-02-15
公開日2009-08-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multimeric Options for the Auto-Activation of the Saccharomyces Cerevisiae Fas Type I Megasynthase.
Structure, 17, 2009
2YOP
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BU of 2yop by Molmil
Long wavelength S-SAD structure of FAM3B PANDER
分子名称: GLYCEROL, PROTEIN FAM3B
著者Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L.
登録日2012-10-26
公開日2013-01-30
最終更新日2013-02-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold.
Structure, 21, 2013
2YOQ
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Structure of FAM3B PANDER E30 construct
分子名称: GLYCEROL, PROTEIN FAM3B
著者Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L.
登録日2012-10-26
公開日2013-01-30
最終更新日2013-02-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold.
Structure, 21, 2013
7Q6Q
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Keap1 compound complex
分子名称: (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Johansson, P.
登録日2021-11-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q5H
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Keap1 compound complex
分子名称: (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-03
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q96
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Keap1 compound complex
分子名称: 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-12
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q6S
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Keap1 compound complex
分子名称: (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q8R
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Keap1 compound complex
分子名称: 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-11
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
6Z6A
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Keap1 macrocycle complex
分子名称: (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Johansson, P.
登録日2020-05-28
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
5JNQ
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MraY tunicamycin complex
分子名称: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
著者Johansson, P.
登録日2016-04-30
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
5LC3
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Xray structure of mouse FAM3C ILEI monomer
分子名称: Protein FAM3C
著者Johansson, P, Jansson, A.
登録日2016-06-19
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer.
J. Biol. Chem., 292, 2017
5LC2
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Xray structure of human FAM3C ILEI monomer
分子名称: Protein FAM3C
著者Johansson, P, Jansson, A.
登録日2016-06-19
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer.
J. Biol. Chem., 292, 2017
5LC4
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Xray structure of mouse FAM3C ILEI dimer
分子名称: Protein FAM3C
著者Johansson, P, Jansson, A.
登録日2016-06-19
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer.
J. Biol. Chem., 292, 2017

 

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