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8DPE
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BU of 8dpe by Molmil
Crystal structure of ATP-dependent RNA helicase DDX42
Descriptor: ATP-dependent RNA helicase DDX42
Authors:Larsen, N.A, Tsai, J.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:Crystal structure of ATP-dependent RNA helicase DDX42
To Be Published
6N8G
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BU of 6n8g by Molmil
IRAK4 bound to benzoxazole compound
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
Authors:Larsen, N.A, Bloudoff, K, Subramanian, V, Dobrzanska, M, Gluza, K.
Deposit date:2018-11-29
Release date:2018-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:To be published
To Be Published
6P68
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BU of 6p68 by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 22.
Descriptor: Fibroblast growth factor receptor 1, N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide, SULFATE ION
Authors:Larsen, N.A.
Deposit date:2019-06-03
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:To be published
To Be Published
1NJ9
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BU of 1nj9 by Molmil
Cocaine hydrolytic antibody 15A10
Descriptor: SODIUM ION, immunoglobulin heavy chain, immunoglobulin variable chain
Authors:Larsen, N.A, de Prada, P, Deng, S.X, Zhu, X, Landry, D.W, Wilson, I.A.
Deposit date:2002-12-30
Release date:2004-02-17
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystallographic and biochemical analysis of cocaine-degrading antibody 15A10.
Biochemistry, 43, 2004
2I3S
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BU of 2i3s by Molmil
Bub3 complex with Bub1 GLEBS motif
Descriptor: Cell cycle arrest protein, Checkpoint serine/threonine-protein kinase
Authors:Larsen, N.A, Harrison, S.C.
Deposit date:2006-08-20
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of Bub3 interactions in the mitotic spindle checkpoint.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2I3T
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BU of 2i3t by Molmil
Bub3 complex with Mad3 (BubR1) GLEBS motif
Descriptor: Cell cycle arrest protein, Spindle assembly checkpoint component
Authors:Larsen, N.A, Harrison, S.C.
Deposit date:2006-08-20
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of Bub3 interactions in the mitotic spindle checkpoint.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1U4C
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BU of 1u4c by Molmil
Structure of spindle checkpoint protein Bub3
Descriptor: Cell cycle arrest protein BUB3
Authors:Larsen, N.A, Harrison, S.C.
Deposit date:2004-07-23
Release date:2004-08-03
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the spindle assembly checkpoint protein Bub3
J.Mol.Biol., 344, 2004
4E1K
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BU of 4e1k by Molmil
GlmU in complex with a Quinazoline Compound
Descriptor: Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ...
Authors:Larsen, N.A, Doig, P.
Deposit date:2012-03-06
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode.
Biochem.J., 446, 2012
1I7Z
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BU of 1i7z by Molmil
ANTIBODY GNC92H2 BOUND TO LIGAND
Descriptor: CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE
Authors:Larsen, N.A, Wilson, I.A.
Deposit date:2001-03-12
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a cocaine-binding antibody.
J.Mol.Biol., 311, 2001
2GZR
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BU of 2gzr by Molmil
Enterobactin and Salmochelin Hydrolase IroE
Descriptor: IroE protein
Authors:Larsen, N.A, Walsh, C.T.
Deposit date:2006-05-11
Release date:2006-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Enterobactin Hydrolase IroE.
Biochemistry, 45, 2006
2GZS
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BU of 2gzs by Molmil
Enterobactin Hydolase IroE Complex with DFP
Descriptor: DIISOPROPYL PHOSPHONATE, IroE protein
Authors:Larsen, N.A, Walsh, C.T.
Deposit date:2006-05-12
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Characterization of Enterobactin Hydrolase IroE.
Biochemistry, 45, 2006
5HZE
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BU of 5hze by Molmil
Mek1 adopts DFG-out conformation when bound to an analog of E6201.
Descriptor: (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION
Authors:Larsen, N.A, Bloudoff, K.
Deposit date:2016-02-02
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mek1 adopts DFG-out conformation when bound to an analog of E6201.
To Be Published
1JU4
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BU of 1ju4 by Molmil
BACTERIAL COCAINE ESTERASE COMPLEX WITH PRODUCT
Descriptor: BENZOIC ACID, cocaine esterase
Authors:Larsen, N.A, Turner, J.M, Stevens, J, Rosser, S.J, Basran, A, Lerner, R.A, Bruce, N.C, Wilson, I.A.
Deposit date:2001-08-23
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of a bacterial cocaine esterase.
Nat.Struct.Biol., 9, 2002
1JGU
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BU of 1jgu by Molmil
STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4
Descriptor: (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE, Antibody Heavy Chain, Antibody Light Chain, ...
Authors:Larsen, N.A, Heine, A, Crane, L, Cravatt, B.F, Lerner, R.A, Wilson, I.A.
Deposit date:2001-06-26
Release date:2001-12-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for a disfavored elimination reaction in catalytic antibody 1D4.
J.Mol.Biol., 314, 2001
1JGV
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BU of 1jgv by Molmil
STRUCTURAL BASIS FOR DISFAVORED ELIMINATION REACTION IN CATALYTIC ANTIBODY 1D4
Descriptor: Antibody Heavy Chain, Antibody Light Chain
Authors:Larsen, N.A, Heine, A, Crane, L, Cravatt, B.F, Lerner, R.A, Wilson, I.A.
Deposit date:2001-06-26
Release date:2001-12-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for a disfavored elimination reaction in catalytic antibody 1D4.
J.Mol.Biol., 314, 2001
1JU3
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BU of 1ju3 by Molmil
BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG
Descriptor: PHENYL BORONIC ACID, cocaine esterase
Authors:Larsen, N.A, Turner, J.M, Stevens, J, Rosser, S.J, Basran, A, Lerner, R.A, Bruce, N.C, Wilson, I.A.
Deposit date:2001-08-23
Release date:2001-12-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of a bacterial cocaine esterase.
Nat.Struct.Biol., 9, 2002
8DKN
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BU of 8dkn by Molmil
PPARg bound to T0070907 and Co-R peptide
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ...
Authors:Larsen, N.A, Tsai, J.
Deposit date:2022-07-05
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DKV
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BU of 8dkv by Molmil
PPARg bound to JTP-426467 and Co-R peptide
Descriptor: 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ...
Authors:Larsen, N.A.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSZ
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BU of 8dsz by Molmil
PPARg bound to partial agonist H3B-487
Descriptor: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSY
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BU of 8dsy by Molmil
PPARg bound to inverse agonist H3B-343
Descriptor: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
Authors:Larsen, N.A.
Deposit date:2022-07-24
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
6W2J
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BU of 6w2j by Molmil
CPS1 bound to allosteric inhibitor H3B-374
Descriptor: (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2020-03-05
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
3U4U
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BU of 3u4u by Molmil
Casein kinase 2 in complex with AZ-Inhibitor
Descriptor: 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Larsen, N.A, Dowling, J.
Deposit date:2011-10-10
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3, 2012
3ULI
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BU of 3uli by Molmil
Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative
Descriptor: 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2
Authors:Larsen, N.A, Tucker, J.A, Wang, T.
Deposit date:2011-11-10
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
4GS6
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BU of 4gs6 by Molmil
Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol
Descriptor: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, 1,2-ETHANEDIOL, Tak1-Tab1 fusion protein
Authors:Larsen, N.A, Ferguson, A.D, Wu, J.
Deposit date:2012-08-27
Release date:2013-01-23
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism and In Vitro Pharmacology of TAK1 Inhibition by (5Z)-7-Oxozeaenol.
Acs Chem.Biol., 8, 2013
4GUB
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BU of 4gub by Molmil
Casein Kinase II bound to Inhibitor
Descriptor: CHLORIDE ION, Casein kinase II subunit alpha, N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
Authors:Larsen, N.A, Dowling, J.E.
Deposit date:2012-08-29
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent and selective inhibitors of CK2 kinase.
To be Published

 

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