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4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
Descriptor: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
Authors:Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2014-09-04
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
4AQC
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BU of 4aqc by Molmil
Triazolopyridine-based Inhibitor of Janus Kinase 2
Descriptor: 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, SULFATE ION, TYROSINE-PROTEIN KINASE JAK2
Authors:Dugan, B.J, Gingrich, D.E, Mesaros, E.F, Milkiewicz, K.L, Curry, M.A, Zulli, A.L, Dobrzanski, P, Serdikoff, C, Jan, M, Angeles, T.S, Albom, M.S, Mason, J.L, Aimone, L.D, Meyer, S.L, Huang, Z, Wells-Knecht, K.J, Ator, M.A, Ruggeri, B.A, Dorsey, B.D.
Deposit date:2012-04-16
Release date:2012-04-25
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of Cep-33779.
J.Med.Chem., 55, 2012
3U23
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BU of 3u23 by Molmil
Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3
Descriptor: 1,2-ETHANEDIOL, CD2-associated protein, Ras and Rab interactor 3
Authors:Simister, P.C, Rouka, E, Janning, M, Muniz, J.R.C, Kirsch, K.H, Knapp, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Krojer, T, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
3QWM
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BU of 3qwm by Molmil
Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
Descriptor: IQ motif and SEC7 domain-containing protein 1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Feller, S, Janning, M, Sabe, H, Krojer, T, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
to be published
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Descriptor: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
Authors:Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-10-28
Release date:2017-08-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
6TD3
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BU of 6td3 by Molmil
Structure of DDB1 bound to CR8-engaged CDK12-cyclinK
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H.
Deposit date:2019-11-07
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020

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