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2X2U
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BU of 2x2u by Molmil
First two Cadherin-like domains from Human RET
Descriptor: 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET, ...
Authors:Kjaer, S, Hanrahan, S, Purkiss-Trew, A.G, Totty, N, McDonald, N.Q.
Deposit date:2010-01-15
Release date:2010-05-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mammal-restricted elements predispose human RET to folding impairment by HSCR mutations.
Nat. Struct. Mol. Biol., 17, 2010
3ZH8
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BU of 3zh8 by Molmil
A novel small molecule aPKC inhibitor
Descriptor: (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q.
Deposit date:2012-12-20
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.739 Å)
Cite:Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
2X2K
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BU of 2x2k by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
Descriptor: (3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
Deposit date:2010-01-13
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
2X2M
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BU of 2x2m by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
Descriptor: (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
Deposit date:2010-01-13
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
4UX8
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BU of 4ux8 by Molmil
RET recognition of GDNF-GFRalpha1 ligand by a composite binding site promotes membrane-proximal self-association
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF FAMILY RECEPTOR ALPHA-1, ...
Authors:Goodman, K, Kjaer, S, Beuron, F, Knowles, P, Nawrotek, A, Burns, E, Purkiss, A, George, R, Santoro, M, Morris, E.P, McDonald, N.Q.
Deposit date:2014-08-19
Release date:2014-10-01
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (24 Å)
Cite:Ret Recognition of Gdnf-Gfralpha1 Ligand by a Composite Binding Site Promotes Membrane-Proximal Self-Association.
Cell Rep., 8, 2014
2X2L
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BU of 2x2l by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
Descriptor: (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
Deposit date:2010-01-13
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
6ZVQ
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BU of 6zvq by Molmil
Complex between SMAD2 MH2 domain and peptide from Ski corepressor
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Mothers against decapentaplegic homolog 2, ...
Authors:Purkiss, A.G, Kjaer, S, George, R, Hill, C.S.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mutations in SKI in Shprintzen-Goldberg syndrome lead to attenuated TGF-beta responses through SKI stabilization.
Elife, 10, 2021
4BG6
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BU of 4bg6 by Molmil
14-3-3 interaction with Rnd3 prenyl-phosphorylation motif
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FARNESYL, ...
Authors:Riou, P, Kjaer, S, Purkiss, A, O'Reilly, N, McDonald, N.Q.
Deposit date:2013-03-23
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:14-3-3 Proteins Interact with a Hybrid Prenyl-Phosphorylation Motif to Inhibit G Proteins.
Cell(Cambridge,Mass.), 153, 2013
1ZFU
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BU of 1zfu by Molmil
Plectasin:A peptide antibiotic with therapeutic potential from a saprophytic fungus
Descriptor: Plectasin
Authors:Mygind, P.H, Fischer, R.L, Schnorr, K, Hansen, M.T, Sonksen, C.P, Ludvigsen, S, Raventos, D, Buskov, S, Christensen, B, De Maria, L, Taboureau, O, Yaver, D, Elvig-Jorgensen, S.G, Sorensen, M.V, Christensen, B.E, Kjaerulf, S, Frimodt-Moller, N, Lehrer, R.I, Zasloff, M, Kristensen, H.H.
Deposit date:2005-04-20
Release date:2005-10-18
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Plectasin is a peptide antibiotic with therapeutic potential from a saprophytic fungus.
Nature, 437, 2005
7AML
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BU of 7aml by Molmil
RET/GDNF/GFRa1 extracellular complex Cryo-EM structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha, ...
Authors:Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q.
Deposit date:2020-10-09
Release date:2021-01-13
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
7AMK
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BU of 7amk by Molmil
Zebrafish RET Cadherin Like Domains 1 to 4.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Purkiss, A.G, McDonald, N.Q, Goodman, K.M, Narowtek, A, Knowles, P.P.
Deposit date:2020-10-09
Release date:2021-02-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
7B62
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BU of 7b62 by Molmil
Crystal structure of SARS-CoV-2 spike protein N-terminal domain in complex with biliverdin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, DI(HYDROXYETHYL)ETHER, ...
Authors:Pye, V.E, Rosa, A, Roustan, C, Cherepanov, P.
Deposit date:2020-12-07
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
3J82
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BU of 3j82 by Molmil
Electron cryo-microscopy of DNGR-1 in complex with F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Hanc, P, Fujii, T, Yamada, Y, Huotari, J, Schulz, O, Ahrens, S, Kjaer, S, Way, M, Namba, K, Reis e Sousa, C.
Deposit date:2014-09-25
Release date:2015-05-20
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Structure of the Complex of F-Actin and DNGR-1, a C-Type Lectin Receptor Involved in Dendritic Cell Cross-Presentation of Dead Cell-Associated Antigens.
Immunity, 42, 2015
7PJR
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BU of 7pjr by Molmil
Notum_ARUK3000438
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Vecchia, L, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-24
Release date:2022-09-07
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7PK3
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BU of 7pk3 by Molmil
Notum_ARUK3001185
Descriptor: 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7PKV
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BU of 7pkv by Molmil
Notum_Inhibitor ARUK3000223
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Ruza, R, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-26
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7NT9
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BU of 7nt9 by Molmil
Trimeric SARS-CoV-2 spike ectodomain in complex with biliverdin (closed conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Rosa, A, Pye, V.E, Nans, A, Cherepanov, P.
Deposit date:2021-03-09
Release date:2021-04-28
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
7NTA
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BU of 7nta by Molmil
Trimeric SARS-CoV-2 spike ectodomain in complex with biliverdin (one RBD erect)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Rosa, A, Pye, V.E, Nans, A, Cherepanov, P.
Deposit date:2021-03-09
Release date:2021-04-28
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
7NTC
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BU of 7ntc by Molmil
Trimeric SARS-CoV-2 spike ectodomain bound to P008_056 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Rosa, A, Pye, V.E, Nans, A, Cherepanov, P.
Deposit date:2021-03-09
Release date:2021-04-28
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
6ZVL
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BU of 6zvl by Molmil
ARUK3000263 complex with Notum
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ...
Authors:Zhao, Y, Ruza, R.
Deposit date:2020-07-24
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
6ZUV
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BU of 6zuv by Molmil
Notum fragment 286
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-07-23
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
2IVS
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BU of 2ivs by Molmil
Crystal structure of non-phosphorylated RET tyrosine kinase domain
Descriptor: 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
Deposit date:2006-06-16
Release date:2006-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain.
J.Biol.Chem., 281, 2006
2IVT
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BU of 2ivt by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain
Descriptor: ADENOSINE MONOPHOSPHATE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR
Authors:Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
Deposit date:2006-06-16
Release date:2006-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006

 

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