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5FI4
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BU of 5fi4 by Molmil
Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model
Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Cowan-Jacob, S.W, Scheufler, C.
Deposit date:2017-01-30
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3TJP
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BU of 3tjp by Molmil
Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
Descriptor: N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2011-08-24
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
5DWR
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BU of 5dwr by Molmil
Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies
Descriptor: N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C, Bussiere, D, Burger, M.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
Descriptor: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
6B8U
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BU of 6b8u by Molmil
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
Descriptor: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
Authors:Appleton, B.A, Murray, J, Shafer, C.M.
Deposit date:2017-10-09
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4KZ0
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BU of 4kz0 by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
4KZC
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BU of 4kzc by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
Descriptor: N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Knapp, M.S, Elling, E.A.
Deposit date:2013-05-29
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
8B8S
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BU of 8b8s by Molmil
Solution structure of tandem RRM1 and RRM2 domains of yeast NPL3
Descriptor: Serine/arginine (SR)-type shuttling mRNA binding protein NPL3
Authors:Kachariya, N, Sattler, M, Keil, P, Strasser, K.
Deposit date:2022-10-04
Release date:2022-11-09
Last modified:2024-06-19
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Npl3 functions in mRNP assembly by recruitment of mRNP components to the transcription site and their transfer onto the mRNA.
Nucleic Acids Res., 51, 2023
5L9W
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BU of 5l9w by Molmil
Crystal structure of the Apc core complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Acetophenone carboxylase alpha subunit, ...
Authors:Warkentin, E, Weidenweber, S, Ermler, U.
Deposit date:2016-06-11
Release date:2017-01-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the acetophenone carboxylase core complex: prototype of a new class of ATP-dependent carboxylases/hydrolases.
Sci Rep, 7, 2017
5OW0
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BU of 5ow0 by Molmil
Crystal structure of an electron transfer flavoprotein from Geobacter metallireducens
Descriptor: ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein, alpha subunit, ...
Authors:Essen, L.-O, Vogt, M.S, Heider, J, Koelzer, S, Peschke, P, Chowdhury, N.P, Schuehle, K, Kleinsorge, D.
Deposit date:2017-08-30
Release date:2018-10-10
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of an electron transfer flavoprotein involved in toluene degradation in strictly anaerobic bacteria.
J.Bacteriol., 2019
7PXP
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BU of 7pxp by Molmil
Benzoylsuccinyl-CoA thiolase
Descriptor: Benzoylsuccinyl-CoA thiolase subunit, ZINC ION
Authors:Ermler, U, Heider, H, Weidenweber, S, Demmer, U.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022
7PYT
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BU of 7pyt by Molmil
Benzoylsuccinyl-CoA thiolase with coenzyme A
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Benzoylsuccinyl-CoA thiolase subunit, ...
Authors:Ermler, U, Heider, J, Weidenweber, S, Demmer, U.
Deposit date:2021-10-11
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022
7PCS
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BU of 7pcs by Molmil
Structure of the heterotetrameric SDR family member BbsCD
Descriptor: BbsC, BbsD, GLYCEROL, ...
Authors:Essen, L.-O, Heider, J, von Horsten, S.
Deposit date:2021-08-04
Release date:2022-06-15
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation.
Febs J., 289, 2022
6H9H
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BU of 6h9h by Molmil
Csf5, CRISPR-Cas type IV Cas6 crRNA endonuclease
Descriptor: Csf5, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Pausch, P, Bange, G.
Deposit date:2018-08-04
Release date:2018-09-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Type IV CRISPR RNA processing and effector complex formation in Aromatoleum aromaticum.
Nat Microbiol, 4, 2019
6H9I
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BU of 6h9i by Molmil
Csf5, CRISPR-Cas type IV Cas6 crRNA endonuclease
Descriptor: Csf5, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Pausch, P, Bange, G.
Deposit date:2018-08-04
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Type IV CRISPR RNA processing and effector complex formation in Aromatoleum aromaticum.
Nat Microbiol, 4, 2019
7YXM
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BU of 7yxm by Molmil
Benzoylsuccinyl-CoA thiolase with coenzyme A
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Benzoylsuccinyl-CoA thiolase subunit, ...
Authors:Ermler, U, Heider, J, Weidenweber, S.
Deposit date:2022-02-16
Release date:2022-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Finis tolueni: a new type of thiolase with an integrated Zn-finger subunit catalyzes the final step of anaerobic toluene metabolism.
Febs J., 289, 2022

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