4AGQ
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![BU of 4agq by Molmil](/molmil-images/mine/4agq) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGP
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![BU of 4agp by Molmil](/molmil-images/mine/4agp) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 | 分子名称: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGL
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![BU of 4agl by Molmil](/molmil-images/mine/4agl) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 | 分子名称: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGM
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![BU of 4agm by Molmil](/molmil-images/mine/4agm) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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3QO1
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![BU of 3qo1 by Molmil](/molmil-images/mine/3qo1) | Monoclinic form of IgG1 Fab fragment (apo form) sharing same Fv as IgA | 分子名称: | Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL | 著者 | Trajtenberg, F, Correa, A, Buschiazzo, A. | 登録日 | 2011-02-09 | 公開日 | 2012-02-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation Acta Crystallogr.,Sect.D, 69, 2013
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3QYM
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![BU of 3qym by Molmil](/molmil-images/mine/3qym) | |
4GI3
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![BU of 4gi3 by Molmil](/molmil-images/mine/4gi3) | |
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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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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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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3QRP
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![BU of 3qrp by Molmil](/molmil-images/mine/3qrp) | Structure of Thermus Thermophilus Cse3 bound to an RNA representing a product mimic complex | 分子名称: | Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*(PGP))-3'), RNA (5'-R(P*(U5P)P*GP*UP*GP*GP*GP*G)-3'), ... | 著者 | Schellenberg, M.J, Gesner, E.M, Garside, E.L, MacMillan, A.M. | 登録日 | 2011-02-18 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Recognition and maturation of effector RNAs in a CRISPR interference pathway. Nat.Struct.Mol.Biol., 18, 2011
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3QRQ
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![BU of 3qrq by Molmil](/molmil-images/mine/3qrq) | Structure of Thermus Thermophilus Cse3 bound to an RNA representing a pre-cleavage complex | 分子名称: | Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP*GP*GP*GP*A)-3') | 著者 | Schellenberg, M.J, Gesner, E.G, Garside, E.L, MacMillan, A.M. | 登録日 | 2011-02-18 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.194 Å) | 主引用文献 | Recognition and maturation of effector RNAs in a CRISPR interference pathway. Nat.Struct.Mol.Biol., 18, 2011
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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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3ZY0
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![BU of 3zy0 by Molmil](/molmil-images/mine/3zy0) | |
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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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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3ZUG
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![BU of 3zug by Molmil](/molmil-images/mine/3zug) | E268D mutant of FAD synthetase from Corynebacterium ammoniagenes | 分子名称: | RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION | 著者 | Herguedas, B, Martinez-Julvez, M, Serrano, A, Medina, M. | 登録日 | 2011-07-19 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Key Residues at the Riboflavin Kinase Catalytic Site of the Bifunctional Riboflavin Kinase/Fmn Adenylyltransferase from Corynebacterium Ammoniagenes. Cell Biochem.Biophys., 65, 2013
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4IBQ
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![BU of 4ibq by Molmil](/molmil-images/mine/4ibq) | Human p53 core domain with hot spot mutation R273C | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | 登録日 | 2012-12-09 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 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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4M8B
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![BU of 4m8b by Molmil](/molmil-images/mine/4m8b) | Fungal Protein | 分子名称: | 1,2-ETHANEDIOL, Chain A of dsDNA containing the cis-regulatory element, Chain B of dsDNA containing the cis-regulatory element, ... | 著者 | Rosenberg, O.S, Lohse, M.L, Stroud, R.M, Johnson, A.D. | 登録日 | 2013-08-13 | 公開日 | 2014-06-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structure of a new DNA-binding domain which regulates pathogenesis in a wide variety of fungi. Proc.Natl.Acad.Sci.USA, 111, 2014
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4IBS
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![BU of 4ibs by Molmil](/molmil-images/mine/4ibs) | Human p53 core domain with hot spot mutation R273H (form I) | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | 著者 | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | 登録日 | 2012-12-09 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 2013
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4IJT
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![BU of 4ijt by Molmil](/molmil-images/mine/4ijt) | Human p53 core domain with hot spot mutation R273H (form II) | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | 登録日 | 2012-12-23 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions. Nucleic Acids Res., 41, 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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