3SMJ
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![BU of 3smj by Molmil](/molmil-images/mine/3smj) | Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor | 分子名称: | 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-06-28 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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1XX4
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![BU of 1xx4 by Molmil](/molmil-images/mine/1xx4) | Crystal Structure of Rat Mitochondrial 3,2-Enoyl-CoA | 分子名称: | 3,2-trans-enoyl-CoA isomerase, mitochondrial, BENZAMIDINE, ... | 著者 | Hubbard, P.A, Yu, W, Schulz, H, Kim, J.-J. | 登録日 | 2004-11-03 | 公開日 | 2004-11-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Domain swapping in the low-similarity isomerase/hydratase superfamily: the crystal structure of rat mitochondrial Delta3, Delta2-enoyl-CoA isomerase. Protein Sci., 14, 2005
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4F1L
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![BU of 4f1l by Molmil](/molmil-images/mine/4f1l) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z) | 分子名称: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | 登録日 | 2012-05-07 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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4L7L
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![BU of 4l7l by Molmil](/molmil-images/mine/4l7l) | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 | 分子名称: | DIMETHYL SULFOXIDE, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L7U
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![BU of 4l7u by Molmil](/molmil-images/mine/4l7u) | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 | 分子名称: | Poly [ADP-ribose] polymerase 3, methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L6Z
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![BU of 4l6z by Molmil](/molmil-images/mine/4l6z) | Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1168 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-13 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L7O
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![BU of 4l7o by Molmil](/molmil-images/mine/4l7o) | Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | 分子名称: | DIMETHYL SULFOXIDE, N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L7N
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![BU of 4l7n by Molmil](/molmil-images/mine/4l7n) | Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L7R
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![BU of 4l7r by Molmil](/molmil-images/mine/4l7r) | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 | 分子名称: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4GV7
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![BU of 4gv7 by Molmil](/molmil-images/mine/4gv7) | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | 分子名称: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2012-08-30 | 公開日 | 2013-06-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4M7B
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![BU of 4m7b by Molmil](/molmil-images/mine/4m7b) | Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854 | 分子名称: | 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ... | 著者 | Karlberg, T, Camaioni, E, Schuler, H. | 登録日 | 2013-08-12 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors. J.Med.Chem., 57, 2014
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4F1Q
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![BU of 4f1q by Molmil](/molmil-images/mine/4f1q) | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | 分子名称: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | 登録日 | 2012-05-07 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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4F0D
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![BU of 4f0d by Molmil](/molmil-images/mine/4f0d) | Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE | 分子名称: | 3-aminobenzamide, Poly [ADP-ribose] polymerase 16 | 著者 | Karlberg, T, Thorsell, A.G, Kallas, A, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2012-05-04 | 公開日 | 2012-06-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain. J.Biol.Chem., 287, 2012
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4GV0
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![BU of 4gv0 by Molmil](/molmil-images/mine/4gv0) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2012-08-30 | 公開日 | 2013-06-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4GV4
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![BU of 4gv4 by Molmil](/molmil-images/mine/4gv4) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2012-08-30 | 公開日 | 2013-06-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4GV2
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![BU of 4gv2 by Molmil](/molmil-images/mine/4gv2) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2012-08-30 | 公開日 | 2013-06-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4R5W
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![BU of 4r5w by Molmil](/molmil-images/mine/4r5w) | Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 | 分子名称: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Karlberg, T, Thorsell, A.G, Schuler, H. | 登録日 | 2014-08-22 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J.Med.Chem., 60, 2017
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4L7P
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![BU of 4l7p by Molmil](/molmil-images/mine/4l7p) | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395 | 分子名称: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4L70
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![BU of 4l70 by Molmil](/molmil-images/mine/4l70) | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0352 | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | 著者 | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | 登録日 | 2013-06-13 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. J.Med.Chem., 56, 2013
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4R6E
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![BU of 4r6e by Molmil](/molmil-images/mine/4r6e) | Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib | 分子名称: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ... | 著者 | Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H. | 登録日 | 2014-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J.Med.Chem., 60, 2017
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4F0E
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![BU of 4f0e by Molmil](/molmil-images/mine/4f0e) | Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102 | 分子名称: | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one, Poly [ADP-ribose] polymerase 15 | 著者 | Karlberg, T, Andersson, C.D, Lindgren, A, Thorsell, A.G, Ekblad, T, Spjut, S, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | 登録日 | 2012-05-04 | 公開日 | 2012-09-05 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. J.Med.Chem., 55, 2012
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4RV6
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![BU of 4rv6 by Molmil](/molmil-images/mine/4rv6) | |
3KL8
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![BU of 3kl8 by Molmil](/molmil-images/mine/3kl8) | CaMKIINtide Inhibitor Complex | 分子名称: | Calcium/calmodulin dependent protein kinase II, Calcium/calmodulin-dependent protein kinase II inhibitor 1 | 著者 | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | 登録日 | 2009-11-06 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.372 Å) | 主引用文献 | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
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2JKG
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![BU of 2jkg by Molmil](/molmil-images/mine/2jkg) | Plasmodium falciparum profilin | 分子名称: | MAGNESIUM ION, OCTAPROLINE PEPTIDE, PROFILIN | 著者 | Kursula, I, Kursula, P, Ganter, M, Panjikar, S, Matuschewski, K, Schueler, H. | 登録日 | 2008-08-28 | 公開日 | 2008-09-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural Basis for Parasite-Specific Functions of the Divergent Profilin of Plasmodium Falciparum. Structure, 16, 2008
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3KK8
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![BU of 3kk8 by Molmil](/molmil-images/mine/3kk8) | CaMKII Substrate Complex A | 分子名称: | Calcium/calmodulin dependent protein kinase II, MAGNESIUM ION | 著者 | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | 登録日 | 2009-11-04 | 公開日 | 2010-02-09 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
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