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6EJ2
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BU of 6ej2 by Molmil
BACE1 compound 28
Descriptor: Beta-secretase 1, compound 28
Authors:Johansson, P.
Deposit date:2017-09-20
Release date:2018-04-18
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
6EJ3
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BU of 6ej3 by Molmil
BACE1 compound 23
Descriptor: (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
Authors:Johansson, P.
Deposit date:2017-09-20
Release date:2018-04-18
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
3HMJ
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BU of 3hmj by Molmil
Saccharomyces cerevisiae FAS type I
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, FLAVIN MONONUCLEOTIDE, ...
Authors:Johansson, P, Mulinacci, B, Koestler, C, Vollrath, R, Oesterhelt, D, Grininger, M.
Deposit date:2009-05-29
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Multimeric options for the auto-activation of the Saccharomyces cerevisiae FAS type I megasynthase
Structure, 17, 2009
4AJG
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BU of 4ajg by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
Descriptor: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
Authors: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.
Deposit date:2012-02-16
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJD
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BU of 4ajd by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
Descriptor: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
Authors: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.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJF
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BU of 4ajf by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
Descriptor: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
Authors: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.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
1UMZ
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BU of 1umz by Molmil
Xyloglucan endotransglycosylase in complex with the xyloglucan nonasaccharide XLLG.
Descriptor: 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
Authors:Johansson, P, Brumer, H, Kallas, A.M, Henriksson, H, Denman, S.E, Teeri, T.T, Jones, T.A.
Deposit date:2003-09-03
Release date:2004-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding
Plant Cell, 16, 2004
1UN1
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BU of 1un1 by Molmil
Xyloglucan endotransglycosylase native structure.
Descriptor: 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
Authors:Johansson, P, Brumer, H, Kallas, A, Henriksson, H, Denman, S, Teeri, T.T, Jones, T.A.
Deposit date:2003-09-03
Release date:2004-03-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, FATTY ACID SYNTHASE SUBUNIT ALPHA, ...
Authors:Johansson, P, Wiltschi, B, Kumari, P, Kessler, B, Vonrhein, C, Vonck, J, Oesterhelt, D, Grininger, M.
Deposit date:2008-01-07
Release date:2008-08-12
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (4 Å)
Cite: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
Descriptor: CALCIUM ION, MB2760
Authors:Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2005-03-24
Release date:2005-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: RV0130
Authors:Johansson, P, Castell, A, Jones, T.A, Backbro, K.
Deposit date:2005-09-29
Release date:2006-09-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE, CHLORIDE ION, COENZYME A, ...
Authors:Johansson, P, Mulincacci, B, Koestler, C, Grininger, M.
Deposit date:2009-02-15
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE
Authors:Johansson, P, Mulincacci, B, Koestler, C, Grininger, M.
Deposit date:2009-02-15
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: GLYCEROL, PROTEIN FAM3B
Authors:Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L.
Deposit date:2012-10-26
Release date:2013-01-30
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 2yoq by Molmil
Structure of FAM3B PANDER E30 construct
Descriptor: GLYCEROL, PROTEIN FAM3B
Authors:Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L.
Deposit date:2012-10-26
Release date:2013-01-30
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold.
Structure, 21, 2013
6Z6A
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BU of 6z6a by Molmil
Keap1 macrocycle complex
Descriptor: (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, ...
Authors:Johansson, P.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
5JNQ
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BU of 5jnq by Molmil
MraY tunicamycin complex
Descriptor: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
Authors:Johansson, P.
Deposit date:2016-04-30
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
7Q6Q
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BU of 7q6q by Molmil
Keap1 compound complex
Descriptor: (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, ...
Authors:Johansson, P.
Deposit date:2021-11-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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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BU of 7q5h by Molmil
Keap1 compound complex
Descriptor: (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
Authors:Johansson, P.
Deposit date:2021-11-03
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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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BU of 7q96 by Molmil
Keap1 compound complex
Descriptor: 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
Authors:Johansson, P.
Deposit date:2021-11-12
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.415 Å)
Cite: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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BU of 7q6s by Molmil
Keap1 compound complex
Descriptor: (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
Authors:Johansson, P.
Deposit date:2021-11-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.143 Å)
Cite: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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BU of 7q8r by Molmil
Keap1 compound complex
Descriptor: 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
Authors:Johansson, P.
Deposit date:2021-11-11
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.282 Å)
Cite: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
5LC3
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BU of 5lc3 by Molmil
Xray structure of mouse FAM3C ILEI monomer
Descriptor: Protein FAM3C
Authors:Johansson, P, Jansson, A.
Deposit date:2016-06-19
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 5lc2 by Molmil
Xray structure of human FAM3C ILEI monomer
Descriptor: Protein FAM3C
Authors:Johansson, P, Jansson, A.
Deposit date:2016-06-19
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 5lc4 by Molmil
Xray structure of mouse FAM3C ILEI dimer
Descriptor: Protein FAM3C
Authors:Johansson, P, Jansson, A.
Deposit date:2016-06-19
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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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