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7UYJ
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BU of 7uyj by Molmil
Structure of RNF31 in complex with FP06652, a Helicon Polypeptide
Descriptor: AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06652, ...
Authors:Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J.
Deposit date:2022-05-06
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RVT
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BU of 4rvt by Molmil
MAP4K4 in complex with a pyridin-2(1H)-one derivative
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Richters, A, Becker, C, Kleine, S, Rauh, D.
Deposit date:2014-11-27
Release date:2015-05-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N4T
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BU of 4n4t by Molmil
Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
5ADQ
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BU of 5adq by Molmil
Crystal structure of human tankyrase 2 in complex with JW55
Descriptor: BICARBONATE ION, GLYCEROL, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-08-24
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5AFQ
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BU of 5afq by Molmil
Crystal structure of RPC62 - RPC32 beta
Descriptor: DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC3, RPC32 BETA (RPC7L)
Authors:Fribourg, S.
Deposit date:2015-01-23
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (7 Å)
Cite:Structural Analysis of Human Rpc32Beta - Rpc62 Complex.
J.Struct.Biol., 192, 2015
5A6O
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BU of 5a6o by Molmil
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
Authors:Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
Deposit date:2015-06-30
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
3G67
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BU of 3g67 by Molmil
Crystal Structure of a Soluble Chemoreceptor from Thermotoga maritima
Descriptor: Methyl-accepting chemotaxis protein
Authors:Pollard, A.M, Bilwes, A.M, Crane, B.R.
Deposit date:2009-02-06
Release date:2009-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The structure of a soluble chemoreceptor suggests a mechanism for propagating conformational signals.
Biochemistry, 48, 2009
2VRR
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BU of 2vrr by Molmil
Structure of SUMO modified Ubc9
Descriptor: FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ...
Authors:Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A.
Deposit date:2008-04-13
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Ubc9 sumoylation regulates SUMO target discrimination.
Mol. Cell, 31, 2008
2VPJ
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BU of 2vpj by Molmil
Crystal structure of the Kelch domain of human KLHL12
Descriptor: ACETATE ION, KELCH-LIKE PROTEIN 12
Authors:Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2008-02-29
Release date:2008-03-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013
4TKI
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BU of 4tki by Molmil
Crystal Structure of human Tankyrase 2 in complex with BSI-201.
Descriptor: 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-26
Release date:2014-10-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TJY
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BU of 4tjy by Molmil
Crystal Structure of human Tankyrase 2 in complex with ABT-888.
Descriptor: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
7X6Z
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BU of 7x6z by Molmil
TRIM7 in complex with C-terminal peptide of NSP12
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X70
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BU of 7x70 by Molmil
TRIM7 in complex with C-terminal peptide of NSP8
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7X6Y
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BU of 7x6y by Molmil
TRIM7 in complex with C-terminal peptide of NSP5
Descriptor: E3 ubiquitin-protein ligase TRIM7, peptide
Authors:Zhang, H, Liang, X, Li, X.Z.
Deposit date:2022-03-08
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
5CTT
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BU of 5ctt by Molmil
Crystal structure of human SART3/TIP110 NLS-mouse importin alpha complex
Descriptor: Importin subunit alpha-1, Squamous cell carcinoma antigen recognized by T-cells 3
Authors:Park, J.K, Kim, E.E.
Deposit date:2015-07-24
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for recruiting and shuttling of the spliceosomal deubiquitinase USP4 by SART3
Nucleic Acids Res., 44, 2016
5YZG
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BU of 5yzg by Molmil
The Cryo-EM Structure of Human Catalytic Step I Spliceosome (C complex) at 4.1 angstrom resolution
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhan, X, Yan, C, Zhang, X, Lei, J, Shi, Y.
Deposit date:2017-12-14
Release date:2018-08-08
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of a human catalytic step I spliceosome
Science, 359, 2018
2X1V
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BU of 2x1v by Molmil
Crystal Structure of the activating H-Ras I163F mutant in Costello Syndrome, bound to MG-GDP
Descriptor: GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE
Authors:Anand, K.
Deposit date:2010-01-04
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Activating H-Ras I163F Mutant in Costello Syndrome, Bound to Mg-Gdp
To be Published
5WQ3
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BU of 5wq3 by Molmil
Crystal structure of type-II LOG from Corynebacterium glutamicum
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, ...
Authors:Seo, H, Kim, K.-J.
Deposit date:2016-11-22
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for a novel type of cytokinin-activating protein
Sci Rep, 7, 2017
5D1L
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BU of 5d1l by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (Y165A)
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, OXALATE ION, ...
Authors:Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
Deposit date:2015-08-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.618 Å)
Cite:Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
5WA9
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BU of 5wa9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Ala phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{R})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-06-26
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
2X7E
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BU of 2x7e by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol
Descriptor: (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
Authors:Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
2V71
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BU of 2v71 by Molmil
Coiled-coil region of NudEL
Descriptor: NUCLEAR DISTRIBUTION PROTEIN NUDE-LIKE 1
Authors:Derewenda, U, Cooper, D.R, Kim, M.H, Derewenda, Z.S.
Deposit date:2007-07-25
Release date:2007-11-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Structure of the Coiled-Coil Domain of Ndel1 and the Basis of its Interaction with Lis1, the Causal Protein of Miller-Dieker Lissencephaly.
Structure, 15, 2007
4OBQ
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BU of 4obq by Molmil
MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ...
Authors:Harris, S.F, Wu, P, Coons, M.
Deposit date:2014-01-07
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
3G6B
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BU of 3g6b by Molmil
Crystal structure of a Soluble Chemoreceptor from Thermotoga maritima Asn217Ile mutant
Descriptor: Methyl-accepting chemotaxis protein
Authors:Pollard, A.M, Bilwes, A.M, Crane, B.R.
Deposit date:2009-02-06
Release date:2009-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of a soluble chemoreceptor suggests a mechanism for propagating conformational signals.
Biochemistry, 48, 2009
5CGJ
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BU of 5cgj by Molmil
Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling.
Descriptor: (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Schimanski-Breves, S, Loenze, P, Engel, C.K.
Deposit date:2015-07-09
Release date:2015-10-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling.
J.Biol.Chem., 290, 2015

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