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3FR2
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BU of 3fr2 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FR5
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BU of 3fr5 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FR4
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BU of 3fr4 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1JF7
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BU of 1jf7 by Molmil
HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH PNU177836
Descriptor: 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID, PROTEIN-TYROSINE PHOSPHATASE 1B
Authors:Larsen, S.D, Barf, T, Liljebris, C, May, P.D, Ogg, D, O'Sullivan, T.J, Palazuk, B.J, Schostarez, H.J, Stevens, F.C, Bleasdale, J.E.
Deposit date:2001-06-20
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and biological activity of a novel class of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B.
J.Med.Chem., 45, 2002
1TOW
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BU of 1tow by Molmil
Crystal structure of human adipocyte fatty acid binding protein in complex with a carboxylic acid ligand
Descriptor: 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID, Fatty acid-binding protein, adipocyte
Authors:Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Lundback, T, Rondahl, L, Barf, T.
Deposit date:2004-06-15
Release date:2004-08-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target.
Bioorg.Med.Chem.Lett., 14, 2004
1TOU
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BU of 1tou by Molmil
Crystal structure of human adipocyte fatty acid binding protein in complex with a non-covalent ligand
Descriptor: 2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL, Fatty acid-binding protein, adipocyte
Authors:Ringom, R, Axen, E, Uppenberg, J, Lundback, T, Rondahl, L, Barf, T.
Deposit date:2004-06-15
Release date:2004-08-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
3R2Y
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BU of 3r2y by Molmil
MK2 kinase bound to Compound 1
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MALONATE ION, MAP kinase-activated protein kinase 2
Authors:Oubrie, A, Leonard, P.
Deposit date:2011-03-15
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R1N
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BU of 3r1n by Molmil
MK3 kinase bound to Compound 5b
Descriptor: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 3
Authors:Oubrie, A, Kazemier, B.
Deposit date:2011-03-11
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R30
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BU of 3r30 by Molmil
MK2 kinase bound to Compound 2
Descriptor: 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid, MAP kinase-activated protein kinase 2
Authors:Oubrie, A, Fisher, M.
Deposit date:2011-03-15
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R2B
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BU of 3r2b by Molmil
MK2 kinase bound to Compound 5b
Descriptor: 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2
Authors:Oubrie, A, van Zeeland, M, Versteegh, J.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7OXB
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BU of 7oxb by Molmil
Crystal structure of EGFR double mutant (T790M/L858R) in complex with compound 6.
Descriptor: 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one, Epidermal growth factor receptor
Authors:Collie, G.W.
Deposit date:2021-06-22
Release date:2021-10-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery and optimization of covalent EGFR T790M/L858R mutant inhibitors".
Bioorg.Med.Chem.Lett., 2021
3SHE
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BU of 3she by Molmil
Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series
Descriptor: MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
Authors:Oubrie, A, Kazemier, B.
Deposit date:2011-06-16
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.
Bioorg.Med.Chem.Lett., 22, 2012

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