6EQD
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![BU of 6eqd by Molmil](/molmil-images/mine/6eqd) | Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis collected at long wavelength | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-10-12 | Release date: | 2018-04-25 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5NP0
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![BU of 5np0 by Molmil](/molmil-images/mine/5np0) | Closed dimer of human ATM (Ataxia telangiectasia mutated) | Descriptor: | Serine-protein kinase ATM | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | Deposit date: | 2017-04-13 | Release date: | 2017-05-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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5NP1
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![BU of 5np1 by Molmil](/molmil-images/mine/5np1) | Open protomer of human ATM (Ataxia telangiectasia mutated) | Descriptor: | Serine-protein kinase ATM | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | Deposit date: | 2017-04-13 | Release date: | 2017-05-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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6EQH
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![BU of 6eqh by Molmil](/molmil-images/mine/6eqh) | Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup C2221 | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-10-12 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5N2W
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![BU of 5n2w by Molmil](/molmil-images/mine/5n2w) | WT-Parkin and pUB complex | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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8FG3
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![BU of 8fg3 by Molmil](/molmil-images/mine/8fg3) | HRAS R97L Crystal Form 2 | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Fetics, S, Johnson, C.W, Mattos, C. | Deposit date: | 2022-12-12 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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8FG4
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![BU of 8fg4 by Molmil](/molmil-images/mine/8fg4) | HRAS R97L Crystal Form 1 | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Fetics, S, Johnson, C.W, Mattos, C. | Deposit date: | 2022-12-12 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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5N38
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![BU of 5n38 by Molmil](/molmil-images/mine/5n38) | S65DParkin and pUB complex | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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6QZ2
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![BU of 6qz2 by Molmil](/molmil-images/mine/6qz2) | Structure of MHETase from Ideonella sakaiensis | Descriptor: | CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase | Authors: | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2019-03-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QZ3
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![BU of 6qz3 by Molmil](/molmil-images/mine/6qz3) | Structure of MHETase from Ideonella sakaiensis | Descriptor: | BENZOIC ACID, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase | Authors: | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2019-03-11 | Release date: | 2020-09-30 | Last modified: | 2020-10-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EQE
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![BU of 6eqe by Molmil](/molmil-images/mine/6eqe) | High resolution crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-10-12 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6QZ1
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![BU of 6qz1 by Molmil](/molmil-images/mine/6qz1) | Structure of MHETase from Ideonella sakaiensis | Descriptor: | BENZOIC ACID, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase | Authors: | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2019-03-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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6EQF
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![BU of 6eqf by Molmil](/molmil-images/mine/6eqf) | Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup P212121 | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-10-12 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6M7H
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![BU of 6m7h by Molmil](/molmil-images/mine/6m7h) | Structure of calmodulin with KN93 | Descriptor: | CALCIUM ION, Calmodulin-1, N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide | Authors: | Damo, S.M, Pattanayek, R, Johnson, C.N. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The CaMKII inhibitor KN93-calmodulin interaction and implications for calmodulin tuning of NaV1.5 and RyR2 function. Cell Calcium, 82, 2019
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6QZ4
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![BU of 6qz4 by Molmil](/molmil-images/mine/6qz4) | Structure of MHETase from Ideonella sakaiensis | Descriptor: | CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase, SULFATE ION | Authors: | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2019-03-11 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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5C83
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![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7D
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![BU of 5c7d by Molmil](/molmil-images/mine/5c7d) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C84
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![BU of 5c84 by Molmil](/molmil-images/mine/5c84) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20 | Descriptor: | (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C3H
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![BU of 5c3h by Molmil](/molmil-images/mine/5c3h) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | Descriptor: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-17 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7A
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![BU of 5c7a by Molmil](/molmil-images/mine/5c7a) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | Descriptor: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2015-09-09 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C0K
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![BU of 5c0k by Molmil](/molmil-images/mine/5c0k) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-12 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7B
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![BU of 5c7b by Molmil](/molmil-images/mine/5c7b) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | Descriptor: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2015-09-09 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5UHV
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![BU of 5uhv by Molmil](/molmil-images/mine/5uhv) | wild-type NRas bound to GppNHp | Descriptor: | GLYCEROL, GTPase NRas, MAGNESIUM ION, ... | Authors: | Reid, D, Johnson, C, Salter, S, Mattos, C. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects. J. Biol. Chem., 292, 2017
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6GBU
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![BU of 6gbu by Molmil](/molmil-images/mine/6gbu) | Crystal structure of the second SH3 domain of FCHSD2 (SH3-2) in complex with the fourth SH3 domain of ITSN1 (SH3d) | Descriptor: | F-BAR and double SH3 domains protein 2, Intersectin-1 | Authors: | Almeida-Souza, L, Frank, R, Garcia-Nafria, J, Colussi, A, Gunawardana, N, Johnson, C.M, Yu, M, Howard, G, Andrews, B, Vallis, Y, McMahon, H.T. | Deposit date: | 2018-04-16 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | A Flat BAR Protein Promotes Actin Polymerization at the Base of Clathrin-Coated Pits. Cell, 174, 2018
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4BY2
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![BU of 4by2 by Molmil](/molmil-images/mine/4by2) | SAS-4 (dCPAP) TCP domain in complex with a Proline Rich Motif of Ana2 (dSTIL) of Drosophila Melanogaster | Descriptor: | 1,2-ETHANEDIOL, ANASTRAL SPINDLE 2, SAS 4 | Authors: | Cottee, M.A, Muschalik, N, Wong, Y.L, Johnson, C.M, Johnson, S, Andreeva, A, Oegema, K, Lea, S.M, Raff, J.W, van Breugel, M. | Deposit date: | 2013-07-17 | Release date: | 2013-09-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structures of the CPAP/STIL complex reveal its role in centriole assembly and human microcephaly. Elife, 2, 2013
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