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5NJ6
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BU of 5nj6 by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution
Descriptor: Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-28
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDD
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BU of 5ndd by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution
Descriptor: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ...
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-08
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDZ
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BU of 5ndz by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution
Descriptor: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-09
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
4B78
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BU of 4b78 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
4B72
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BU of 4b72 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
4B70
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BU of 4b70 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
4B77
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BU of 4b77 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
4AJM
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BU of 4ajm by Molmil
Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors
Descriptor: 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
Authors:Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S.
Deposit date:2012-02-16
Release date:2013-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
1W74
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BU of 1w74 by Molmil
X-ray structure of peptidyl-prolyl cis-trans isomerase A, PpiA, Rv0009, from Mycobacterium tuberculosis.
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Henriksson, L.M, Johansson, P, Unge, T, Mowbray, S.L.
Deposit date:2004-08-27
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-Ray Structure of Peptidyl-Prolyl Cis-Trans Isomerase a from Mycobacterium Tuberculosis
Eur.J.Biochem., 271, 2004
6QLZ
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BU of 6qlz by Molmil
IDOL F3ab subdomain
Descriptor: E3 ubiquitin-protein ligase MYLIP
Authors:Martinelli, L, Johansson, P, Wan, P.T, Gunnarsson, J, Guo, H, Boyd, H.
Deposit date:2019-02-01
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site.
J.Biol.Chem., 295, 2020
2BI0
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BU of 2bi0 by Molmil
RV0216, A conserved hypothetical protein from Mycobacterium tuberculosis that is essential for bacterial survival during infection, has a double hotdogfold
Descriptor: CHLORIDE ION, HYPOTHETICAL PROTEIN RV0216
Authors:Castell, A, Johansson, P, Unge, T, Jones, T.A, Backbro, K.
Deposit date:2005-01-20
Release date:2005-04-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rv0216, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis that is Essential for Bacterial Survival During Infection, Has a Double Hotdog Fold
Protein Sci., 14, 2005
4AL0
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BU of 4al0 by Molmil
Crystal structure of Human PS-1
Descriptor: GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4AL1
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BU of 4al1 by Molmil
Crystal structure of Human PS-1 GSH-analog complex
Descriptor: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4B1E
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BU of 4b1e by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4B0Q
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BU of 4b0q by Molmil
Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
Descriptor: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1
Authors:Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N.
Deposit date:2012-07-04
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold
To be Published
4B1C
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BU of 4b1c by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
4B1D
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BU of 4b1d by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
2VEO
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BU of 2veo by Molmil
X-ray structure of Candida antarctica lipase A in its closed state.
Descriptor: GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ...
Authors:Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L.
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation.
J.Mol.Biol., 376, 2008
2VX9
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BU of 2vx9 by Molmil
H. salinarum dodecin E45A mutant
Descriptor: CHLORIDE ION, DODECIN, RIBOFLAVIN, ...
Authors:Grininger, M, Staudt, H, Johansson, P, Wachtveitl, J, Oesterhelt, D.
Deposit date:2008-07-01
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dodecin is the Key Player in Flavin Homeostasis of Archaea.
J.Biol.Chem., 284, 2009
2VXA
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BU of 2vxa by Molmil
H. halophila dodecin in complex with riboflavin
Descriptor: CHLORIDE ION, DODECIN, RIBOFLAVIN
Authors:Grininger, M, Staudt, H, Johansson, P, Wachtveitl, J, Oesterhelt, D.
Deposit date:2008-07-01
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dodecin is the Key Player in Flavin Homeostasis of Archaea.
J.Biol.Chem., 284, 2009
2WA1
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BU of 2wa1 by Molmil
Structure of the methyltransferase domain from Modoc Virus, a Flavivirus with No Known Vector (NKV)
Descriptor: NON-STRUCTURAL PROTEIN 5, SULFATE ION
Authors:Jansson, A.M, Johansson, P, Jones, T.A.
Deposit date:2009-02-02
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Methyltransferase Domain from the Modoc Virus, a Flavivirus with No Known Vector.
Acta Crystallogr.,Sect.D, 65, 2009
2WA2
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BU of 2wa2 by Molmil
Structure of the methyltransferase domain from Modoc Virus, a Flavivirus with No Known Vector (NKV)
Descriptor: NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, SULFATE ION
Authors:Jansson, A.M, Johansson, P, Jones, T.A.
Deposit date:2009-02-02
Release date:2009-08-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Methyltransferase Domain from the Modoc Virus, a Flavivirus with No Known Vector.
Acta Crystallogr.,Sect.D, 65, 2009
2X98
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BU of 2x98 by Molmil
H.SALINARUM ALKALINE PHOSPHATASE
Descriptor: ALKALINE PHOSPHATASE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wende, A, Johansson, P, Grininger, M, Oesterhelt, D.
Deposit date:2010-03-14
Release date:2010-05-19
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Biochemical Characterization of a Halophilic Archaeal Alkaline Phosphatase.
J.Mol.Biol., 400, 2010
7PRV
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BU of 7prv by Molmil
The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp
Descriptor: (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ...
Authors:Postel, S, Edman, K, Wissler, L.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
7PRX
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BU of 7prx by Molmil
wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment
Descriptor: Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat
Authors:Edman, K, Wissler, L, Koehler, C, Postel, S.
Deposit date:2021-09-22
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023

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