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1TVO
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BU of 1tvo by Molmil
The structure of ERK2 in complex with a small molecule inhibitor
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
Authors:Kinoshita, T.
Deposit date:2004-06-30
Release date:2005-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex
Biochem.Biophys.Res.Commun., 336, 2005
2G99
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BU of 2g99 by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
2YPA
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BU of 2ypa by Molmil
Structure of the SCL:E47:LMO2:LDB1 complex bound to DNA
Descriptor: EBOX FORWARD, EBOX REVERSE, LIM DOMAIN-BINDING PROTEIN 1, ...
Authors:El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J.
Deposit date:2012-10-30
Release date:2013-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
7T17
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BU of 7t17 by Molmil
Zika Virus asymmetric unit bound with IgM antibody DH1017 Fab fragment
Descriptor: Core protein, DH1017.IgM FabC constant domain, DH1017.IgM IgH, ...
Authors:Miller, A.S, Kuhn, R.J.
Deposit date:2021-12-01
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.26 Å)
Cite:A Zika virus-specific IgM elicited in pregnancy exhibits ultrapotent neutralization.
Cell, 185, 2022
5M36
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BU of 5m36 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
5M37
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BU of 5m37 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
3EZG
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BU of 3ezg by Molmil
Crystal structure of E18Q DJ-1 with oxidized C106
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2008-10-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Formation of a stabilized cysteine sulfinic acid is critical for the mitochondrial function of the parkinsonism protein DJ-1.
J.Biol.Chem., 284, 2009
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
2W96
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BU of 2w96 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
1LWW
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BU of 1lww by Molmil
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-BROMOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LUJ
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BU of 1luj by Molmil
Crystal Structure of the Beta-catenin/ICAT Complex
Descriptor: Beta-catenin-interacting protein 1, Catenin beta-1
Authors:Graham, T.A, Clements, W.K, Kimelman, D, Xu, W.
Deposit date:2002-05-22
Release date:2002-10-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the beta-catenin/ICAT complex reveals the inhibitory mechanism of ICAT.
Mol.Cell, 10, 2002
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rogala, K.B, Sabatini, D.M.
Deposit date:2019-08-29
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
1M1E
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BU of 1m1e by Molmil
Beta-catenin armadillo repeat domain bound to ICAT
Descriptor: Beta-catenin, ICAT
Authors:Daniels, D.L, Weis, W.I.
Deposit date:2002-06-18
Release date:2002-10-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ICAT inhibits Beta-catenin binding to Tcf/Lef-family transcription factors and the general coactivator p300 using independent structural modules.
Mol.Cell, 10, 2002
6UFX
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BU of 6ufx by Molmil
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W, Zhao, B.
Deposit date:2019-09-25
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UIK
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BU of 6uik by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
Authors:Zhao, B.
Deposit date:2019-10-01
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UCS
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BU of 6ucs by Molmil
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
Descriptor: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2019-09-17
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-09-30
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
2W9F
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BU of 2w9f by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-23
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2VUU
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BU of 2vuu by Molmil
Crystal structure of NADP-bound NmrA-AreA zinc finger complex
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
6U5Y
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BU of 6u5y by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
7M3X
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BU of 7m3x by Molmil
Crystal Structure of the Apo Form of Human RBBP7
Descriptor: Histone-binding protein RBBP7, UNKNOWN ATOM OR ION
Authors:Righetto, G.L, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-03-19
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of the Apo Form of Human RBBP7
To Be Published
4QTB
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BU of 4qtb by Molmil
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
6U5M
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BU of 6u5m by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-08-28
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6U8B
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BU of 6u8b by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
Authors:Zhao, B, Wang, F.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019

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