7OAS
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![BU of 7oas by Molmil](/molmil-images/mine/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
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![BU of 7oat by Molmil](/molmil-images/mine/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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7A5M
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![BU of 7a5m by Molmil](/molmil-images/mine/7a5m) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe | Descriptor: | Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2020-08-21 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.78 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
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![BU of 2wal by Molmil](/molmil-images/mine/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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6HD0
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![BU of 6hd0 by Molmil](/molmil-images/mine/6hd0) | |
3RIQ
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![BU of 3riq by Molmil](/molmil-images/mine/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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2OKN
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![BU of 2okn by Molmil](/molmil-images/mine/2okn) | Crystal Strcture of Human Prolidase | Descriptor: | HYDROGENPHOSPHATE ION, MANGANESE (II) ION, Xaa-Pro dipeptidase | Authors: | Mueller, U, Niesen, F.H, Roske, Y, Goetz, F, Behlke, J, Buessow, K, Heinemann, U, Protein Structure Factory (PSF) | Deposit date: | 2007-01-17 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Prolidase: The Molecular Basis of PD Disease. To be Published
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2W3C
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![BU of 2w3c by Molmil](/molmil-images/mine/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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2VTG
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![BU of 2vtg by Molmil](/molmil-images/mine/2vtg) | Crystal Structure of Human Iba2, trigonal crystal form | Descriptor: | ACETATE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ZINC ION | Authors: | Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K. | Deposit date: | 2008-05-15 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and Functional Characterization of Human Iba Proteins. FEBS J., 275, 2008
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8A9I
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![BU of 8a9i by Molmil](/molmil-images/mine/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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5MPH
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![BU of 5mph by Molmil](/molmil-images/mine/5mph) | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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5MPF
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![BU of 5mpf by Molmil](/molmil-images/mine/5mpf) | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3'), Grainyhead-like protein 1 homolog | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.918 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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5MR7
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![BU of 5mr7 by Molmil](/molmil-images/mine/5mr7) | |
5MPI
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![BU of 5mpi by Molmil](/molmil-images/mine/5mpi) | Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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5NC7
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![BU of 5nc7 by Molmil](/molmil-images/mine/5nc7) | ENAH EVH1 in complex with Ac-WPPPPTEDEL-NH2 | Descriptor: | ActA-derived 10-mer Ac-FPPPPTEDEL-NH2 with acetylated (Ac) and amidated (NH2) termini. Phe is substitued by Trp to increase affinity for crystallization, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-03 | Release date: | 2018-03-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 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
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![BU of 6xvt by Molmil](/molmil-images/mine/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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6XXR
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![BU of 6xxr by Molmil](/molmil-images/mine/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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3O5N
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![BU of 3o5n by Molmil](/molmil-images/mine/3o5n) | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | Deposit date: | 2010-07-28 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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2IW2
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![BU of 2iw2 by Molmil](/molmil-images/mine/2iw2) | Crystal structure of human Prolidase | Descriptor: | SODIUM ION, XAA-PRO DIPEPTIDASE | Authors: | Mueller, U, Niesen, F.H, Roske, Y, Goetz, F, Behlke, J, Buessow, K, Heinemann, U. | Deposit date: | 2006-06-24 | Release date: | 2006-07-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structure of Human Prolidase: The Molecular Basis of Pd Disease To be Published
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5NDU
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![BU of 5ndu by Molmil](/molmil-images/mine/5ndu) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe | Descriptor: | GLYCEROL, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-09 | Release date: | 2018-03-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 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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5NEG
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![BU of 5neg by Molmil](/molmil-images/mine/5neg) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt | Descriptor: | NITRATE ION, Protein enabled homolog, SULFATE ION, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-10 | Release date: | 2018-03-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.29 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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5NCP
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![BU of 5ncp by Molmil](/molmil-images/mine/5ncp) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OH | Descriptor: | (3~{S},7~{R},10~{R},13~{R})-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, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-06 | Release date: | 2018-03-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 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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5NBX
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![BU of 5nbx by Molmil](/molmil-images/mine/5nbx) | ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-OH | Descriptor: | ACY-2L5-PRO-PRO-8SN, BROMIDE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-02 | Release date: | 2018-03-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 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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2JJZ
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![BU of 2jjz by Molmil](/molmil-images/mine/2jjz) | Crystal Structure of Human Iba2, orthorhombic crystal form | Descriptor: | ACETATE ION, CHLORIDE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ... | Authors: | Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K. | Deposit date: | 2008-05-15 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Characterization of Human Iba Proteins. FEBS J., 275, 2008
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7BI9
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![BU of 7bi9 by Molmil](/molmil-images/mine/7bi9) | PI3KC2a core in complex with PIK90 | Descriptor: | 1,2-ETHANEDIOL, N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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