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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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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7BI6
 | | PI3KC2a core in complex with ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 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 (2.75 Å) | | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI4
 | | PI3KC2a core apo | | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION | | 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 (2.42 Å) | | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI2
 | | PI3KC2aDeltaN and DeltaC-C2 | | Descriptor: | 1,2-ETHANEDIOL, 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, IODIDE ION, ... | | 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 (3.25 Å) | | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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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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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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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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6EIB
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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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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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6G8Y
 | | Crystal Structures of the Single PDZ Domains from GRASP65 and their Interaction with the Golgin GM130 | | Descriptor: | 1,2-ETHANEDIOL, Acetylated cis-Golgi protein, involved in ER-to-Golgi transport, ... | | Authors: | Jurk, C.M, Roske, Y, Heinemann, U. | | Deposit date: | 2018-04-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structures of the Single PDZ Domains from GRASP65 and their Interaction with the Golgin GM130
Croatica Chemica Acta, 2018
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6G8T
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2CI8
 | | sh2 domain of human nck1 adaptor protein - uncomplexed | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, PENTAETHYLENE GLYCOL, SULFATE ION | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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3PDO
 | | Crystal Structure of HLA-DR1 with CLIP102-120 | | Descriptor: | FORMIC ACID, GLYCEROL, HLA class II histocompatibility antigen gamma chain, ... | | Authors: | Gunther, S, Schlundt, A, Sticht, J, Roske, Y, Heinemann, U, Wiesmuller, K.-H, Jung, G, Falk, K, Rotzschke, O, Freund, C. | | Deposit date: | 2010-10-23 | | Release date: | 2010-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bidirectional binding of invariant chain peptides to an MHC class II molecule.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3PGC
 | | Crystal Structure of HLA-DR1 with CLIP106-120, flipped peptide orientation | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HLA class II histocompatibility antigen gamma chain, ... | | Authors: | Gunther, S, Schlundt, A, Sticht, J, Roske, Y, Heinemann, U, Wiesmuller, K.-H, Jung, G, Falk, K, Rotzschke, O, Freund, C. | | Deposit date: | 2010-11-01 | | Release date: | 2010-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Bidirectional binding of invariant chain peptides to an MHC class II molecule.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3PGD
 | | Crystal Structure of HLA-DR1 with CLIP106-120, canonical peptide orientation | | Descriptor: | HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Gunther, S, Schlundt, A, Sticht, J, Roske, Y, Heinemann, U, Wiesmuller, K.-H, Jung, G, Falk, K, Rotzschke, O, Freund, C. | | Deposit date: | 2010-11-01 | | Release date: | 2010-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Bidirectional binding of invariant chain peptides to an MHC class II molecule.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2CFH
 | | Structure of the Bet3-TPC6B core of TRAPP | | Descriptor: | PALMITIC ACID, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B | | Authors: | Kummel, D, Muller, J.J, Roske, Y, Henke, N, Heinemann, U. | | Deposit date: | 2006-02-21 | | Release date: | 2006-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2.
J.Mol.Biol., 361, 2006
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2CIA
 | | human nck2 sh2-domain in complex with a decaphosphopeptide from translocated intimin receptor (tir) of epec | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOPLASMIC PROTEIN NCK2, ISOPROPYL ALCOHOL, ... | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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2BJN
 | | X-ray Structure of human TPC6 | | Descriptor: | GLYCEROL, SULFATE ION, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B | | Authors: | Kummel, D, Mueller, J.J, Roske, Y, Misselwitz, R, Bussow, K, Heinemann, U. | | Deposit date: | 2005-02-04 | | Release date: | 2005-07-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of the Trapp Subunit Tpc6 Suggests a Model for a Trapp Subcomplex.
Embo Rep., 6, 2005
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4AH2
 | | HLA-DR1 with covalently linked CLIP106-120 in canonical orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN,DRB1-1 BETA CHAIN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-02-03 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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4AEN
 | | HLA-DR1 with covalently linked CLIP106-120 in reversed orientation | | Descriptor: | GLYCEROL, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN GAMMA CHAIN, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Schlundt, A, Guenther, S, Sticht, J, Wieczorek, M, Roske, Y, Heinemann, U, Freund, C. | | Deposit date: | 2012-01-11 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide Linkage to the Alpha-Subunit of Mhcii Creates a Stably Inverted Antigen Presentation Complex.
J.Mol.Biol., 423, 2012
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2CI9
 | | Nck1 SH2-domain in complex with a dodecaphosphopeptide from EPEC protein Tir | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, TRANSLOCATED INTIMIN RECEPTOR | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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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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