6RRK
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![BU of 6rrk by Molmil](/molmil-images/mine/6rrk) | Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-20 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
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6TXQ
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![BU of 6txq by Molmil](/molmil-images/mine/6txq) | The high resolution structure of the FERM domain and helical linker of human moesin | Descriptor: | ACETATE ION, Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-14 | Release date: | 2020-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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7ABS
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![BU of 7abs by Molmil](/molmil-images/mine/7abs) | Structure of human DCLRE1C/Artemis in complex with DNA - re-evaluation of 6WO0 | Descriptor: | DNA (5'-D(*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*TP*CP*AP*GP*CP*T)-3'), Protein artemis, ... | Authors: | Newman, J.A, Yosaatmadja, Y, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-08 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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6ZU8
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![BU of 6zu8 by Molmil](/molmil-images/mine/6zu8) | Crystal structure of human Brachyury G177D variant in complex with Afatinib | Descriptor: | Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION | Authors: | Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-07-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of human Brachyury G177D variant in complex with Afatinib To Be Published
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7AW6
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![BU of 7aw6 by Molmil](/molmil-images/mine/7aw6) | The extracellular region of CD33 with bound sialoside analogue P22 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, ... | Authors: | Bradshaw, W.J, Katis, V.L, Thompson, A.P, Arrowsmith, C.H, Edwards, A.M, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2020-11-06 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The extracellular region of CD33 with bound sialoside analogue P22 To Be Published
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7APV
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![BU of 7apv by Molmil](/molmil-images/mine/7apv) | Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone | Descriptor: | 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-20 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7B9B
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![BU of 7b9b by Molmil](/molmil-images/mine/7b9b) | Crystal structure of human 5' exonuclease Appollo APO form | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-12-14 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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7AF1
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![BU of 7af1 by Molmil](/molmil-images/mine/7af1) | The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-19 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AFU
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![BU of 7afu by Molmil](/molmil-images/mine/7afu) | The structure of Artemis variant H33A | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AFS
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![BU of 7afs by Molmil](/molmil-images/mine/7afs) | The structure of Artemis variant D37A | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AGI
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![BU of 7agi by Molmil](/molmil-images/mine/7agi) | The structure of Artemis variant H35D | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-22 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7B2X
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![BU of 7b2x by Molmil](/molmil-images/mine/7b2x) | Crystal structure of human 5' exonuclease Appollo H61Y variant | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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4DYM
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![BU of 4dym by Molmil](/molmil-images/mine/4dym) | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-02-29 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 To be Published
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2IZR
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![BU of 2izr by Molmil](/molmil-images/mine/2izr) | Structure of casein kinase gamma 3 in complex with inhibitor | Descriptor: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-07-26 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Inhibitor Binding by Casein Kinases To be Published
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2IZU
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![BU of 2izu by Molmil](/molmil-images/mine/2izu) | Structure of casein kinase gamma 3 in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ... | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-07-26 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Inhibitor Binding by Casein Kinases To be Published
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2IZT
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![BU of 2izt by Molmil](/molmil-images/mine/2izt) | Structure of casein kinase gamma 3 in complex with inhibitor | Descriptor: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-07-26 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor Binding by Casein Kinases To be Published
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2IZS
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![BU of 2izs by Molmil](/molmil-images/mine/2izs) | Structure of casein kinase gamma 3 in complex with inhibitor | Descriptor: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-07-26 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Inhibitor Binding by Casein Kinases To be Published
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2JC6
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![BU of 2jc6 by Molmil](/molmil-images/mine/2jc6) | Crystal structure of human calmodulin-dependent protein kinase 1D | Descriptor: | CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | Authors: | Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A. | Deposit date: | 2006-12-19 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D To be Published
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2WWY
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![BU of 2wwy by Molmil](/molmil-images/mine/2wwy) | Structure of human RECQ-like helicase in complex with a DNA substrate | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ... | Authors: | Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2009-10-30 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures Proc.Natl.Acad.Sci.USA, 112, 2015
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4CGZ
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![BU of 4cgz by Molmil](/molmil-images/mine/4cgz) | Crystal structure of the Bloom's syndrome helicase BLM in complex with DNA | Descriptor: | 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*DT *CP*CP*CP)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Newman, J.A, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2013-11-27 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes. Nucleic Acids Res., 43, 2015
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4CDG
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![BU of 4cdg by Molmil](/molmil-images/mine/4cdg) | Crystal structure of the Bloom's syndrome helicase BLM in complex with Nanobody | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BLOOM SYNDROME PROTEIN, NANOBODY, ... | Authors: | Newman, J.A, Savitsky, P, Allerston, C.K, Pike, A.C.W, Pardon, E, Steyaert, J, Arrowsmith, C.H, von Delft, F, Bountra, C, Edwards, A, Gileadi, O. | Deposit date: | 2013-10-31 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes. Nucleic Acids Res., 43, 2015
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2CHL
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![BU of 2chl by Molmil](/molmil-images/mine/2chl) | Structure of casein kinase 1 gamma 3 | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CASEIN KINASE I ISOFORM GAMMA-3, SULFATE ION | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Ugochukwu, E, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-03-15 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Casein Kinase 1 Gamma 3 To be Published
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2X4F
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![BU of 2x4f by Molmil](/molmil-images/mine/2x4f) | The Crystal Structure of the human myosin light chain kinase LOC340156. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | Authors: | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | Deposit date: | 2010-01-29 | Release date: | 2010-02-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156 To be Published
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2X7G
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![BU of 2x7g by Molmil](/molmil-images/mine/2x7g) | Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PURVALANOL B, ... | Authors: | Pike, A.C.W, Savitsky, P, Fedorov, O, Krojer, T, Ugochukwu, E, von Delft, F, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-04-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Serine-Arginine-Rich Protein- Specific Kinase 2 (Srpk2) Bound to Purvalanol B To be Published
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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