6ZC3
| Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-2-(methylsulfonylamino)benzoic acid, Dishevelled, ... | Authors: | Roske, Y, Heinemann, U, Oschkinat, H. | Deposit date: | 2020-06-09 | Release date: | 2021-06-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling J.Magn.Reson., 2021
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6ZC8
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6ZC4
| Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | Descriptor: | 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ... | Authors: | Roske, Y, Heinemann, U, Oschkinat, H. | Deposit date: | 2020-06-09 | Release date: | 2021-06-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling J.Magn.Reson., 2021
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6RCJ
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe | Descriptor: | GLYCEROL, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XVT
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2 | Descriptor: | ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RD2
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2 | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XXR
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2 | Descriptor: | Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-28 | Release date: | 2020-11-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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8A9I
| PI3KC2a core in complex with PITCOIN1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-06-28 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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6TGF
| Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold | Descriptor: | 1,2-ETHANEDIOL, Exopolysaccharide biosynthesis protein, TETRAETHYLENE GLYCOL | Authors: | Irmscher, T, Roske, Y, Gayk, I, Heinemann, U, Barbirz, S. | Deposit date: | 2019-11-15 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold. J.Biol.Chem., 296, 2021
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6RCF
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | Descriptor: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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4ZP3
| AKAP18:PKA-RIIalpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA | Descriptor: | A-kinase anchor protein 7 isoforms alpha and beta, CADMIUM ION, cAMP-dependent protein kinase type II-alpha regulatory subunit | Authors: | Goetz, F, Roske, Y, Faelber, K, Zuehlke, K, Autenrieth, K, Kreuchwig, A, Krause, G, Herberg, F.W, Daumke, O, Heinemann, U, Klussmann, E. | Deposit date: | 2015-05-07 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | AKAP18:PKA-RII alpha structure reveals crucial anchor points for recognition of regulatory subunits of PKA. Biochem.J., 473, 2016
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1U2H
| X-ray Structure of the N-terminally truncated human APEP-1 | Descriptor: | Aortic preferentially expressed protein 1 | Authors: | Manjasetty, B.A, Scheich, C, Roske, Y, Niesen, F.H, Gotz, F, Bussow, K, Heinemann, U. | Deposit date: | 2004-07-19 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1) Bmc Struct.Biol., 5, 2005
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4MY6
| EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH | Descriptor: | (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y, Kuehne, R. | Deposit date: | 2013-09-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. Proc.Natl.Acad.Sci.USA, 112, 2015
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1XCR
| Crystal Structure of Longer Splice Variant of PTD012 from Homo sapiens reveals a novel Zinc-containing fold | Descriptor: | ACETIC ACID, ZINC ION, hypothetical protein PTD012 | Authors: | Manjasetty, B.A, Fieber-Erdmann, M, Roske, Y, Goetz, F, Buessow, K, Heinemann, U. | Deposit date: | 2004-09-03 | Release date: | 2005-09-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Homo sapiens PTD012 reveals a zinc-containing hydrolase fold Protein Sci., 15, 2006
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7OAS
| Structural basis for targeted p97 remodeling by ASPL as prerequisite for p97 trimethylation by METTL21D | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-L-methionine-dependent methyltransferases superfamily protein | Authors: | Petrovic, S, Heinemann, U, Roske, Y. | Deposit date: | 2021-04-20 | Release date: | 2022-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7OAT
| Structural basis for targeted p97 remodelling by ASPL as prerequisite for p97 trimethylation by METTL21D | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Petrovic, S, Heinemann, U, Roske, Y. | Deposit date: | 2021-04-20 | Release date: | 2022-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.995 Å) | Cite: | Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D. Proc.Natl.Acad.Sci.USA, 120, 2023
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7Z74
| PI3KC2a core in complex with PITCOIN2 | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-03-15 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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7Z75
| PI3KC2a core in complex with PITCOIN3 | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-03-15 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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6HD3
| Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 48 homolog A, PHOSPHATE ION | Authors: | Heinemann, U, Roske, Y, Banchenko, S, Arumughan, A, Petrovic, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1. Structure, 27, 2019
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7AKI
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2 | Descriptor: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2020-10-01 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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2WAL
| Crystal Structure of human GADD45gamma | Descriptor: | GROWTH ARREST AND DNA-DAMAGE-INDUCIBLE PROTEIN GADD45 GAMMA, MALONIC ACID | Authors: | Bhattacharya, S, Mueller, J.J, Roske, Y, Turnbull, A.P, Quedenau, C, Goetz, F, Buessow, K, Heinemann, U. | Deposit date: | 2009-02-09 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of Human Gadd45Gamma To be Published
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8CJW
| Nucleoprotein Thogotovirus delta188-196 | Descriptor: | 1,2-ETHANEDIOL, Nucleoprotein, PHOSPHATE ION, ... | Authors: | Dick, A, Roske, Y. | Deposit date: | 2023-02-13 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural characterization of Thogoto Virus nucleoprotein provides insights into viral RNA encapsidation and RNP assembly. Structure, 2024
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3RIQ
| Siphovirus 9NA tailspike receptor binding domain | Descriptor: | GLYCEROL, Tailspike protein | Authors: | Andres, D, Roske, Y, Doering, C, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. Mol.Microbiol., 83, 2012
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6HD0
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2W3C
| Globular head region of the human general vesicular transport factor p115 | Descriptor: | DI(HYDROXYETHYL)ETHER, GENERAL VESICULAR TRANSPORT FACTOR P115 | Authors: | Striegl, H, Roske, Y, Kummel, D, Heinemann, U. | Deposit date: | 2008-11-11 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115 Plos One, 4, 2009
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