4L6Z
| Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1168 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
| Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | Descriptor: | 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 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
| Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 | Descriptor: | DIMETHYL SULFOXIDE, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
| Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 | Descriptor: | Poly [ADP-ribose] polymerase 3, methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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4IBS
| Human p53 core domain with hot spot mutation R273H (form I) | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
| Human p53 core domain with hot spot mutation R273H (form II) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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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4GV7
| Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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4GXY
| RNA structure | Descriptor: | Adenosylcobalamin, Adenosylcobalamin riboswitch, IRIDIUM HEXAMMINE ION, ... | Authors: | Serganov, A, Peselis, A. | Deposit date: | 2012-09-04 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural insights into ligand binding and gene expression control by an adenosylcobalamin riboswitch. Nat.Struct.Mol.Biol., 19, 2012
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4M7B
| Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854 | Descriptor: | 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ... | Authors: | Karlberg, T, Camaioni, E, Schuler, H. | Deposit date: | 2013-08-12 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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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4L70
| Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0352 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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3TJZ
| Crystal Structure of Arf1 Bound to the gamma/zeta-COP Core Complex | Descriptor: | ADP-ribosylation factor 1, Coatomer subunit gamma, Coatomer subunit zeta-1, ... | Authors: | Goldberg, J, Yu, X, Breitman, M. | Deposit date: | 2011-08-25 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structure-based mechanism for arf1-dependent recruitment of coatomer to membranes. Cell(Cambridge,Mass.), 148, 2012
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4J5S
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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3QLQ
| Crystal structure of Concanavalin A bound to an octa-alpha-mannosyl-octasilsesquioxane cluster | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Sundberg, E.J, Bonsor, D.A, Trastoy, B, Chiara, J.L. | Deposit date: | 2011-02-03 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and Biophysical Study of Disassembling Nano hybrid Bioconjugates with a Cubic Octasilsesquioxane Core Adv Funct Mater, 22, 2012
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3QNX
| Orthorhombic form of human IgA1 Fab fragment, sharing same Fv as IgG | Descriptor: | Fab fragment of IMMUNOGLOBULIN A1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN A1 LIGHT CHAIN, GLYCEROL | Authors: | Trajtenberg, F, Correa, A, Buschiazzo, A. | Deposit date: | 2011-02-09 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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4L7P
| Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395 | Descriptor: | (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 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
| Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2013-06-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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4J5Q
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure | Descriptor: | O-acetyl-ADP-ribose deacetylase 1 | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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4J5R
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
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4IBQ
| Human p53 core domain with hot spot mutation R273C | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2012-12-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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5P9K
| CRYSTAL STRUCTURE OF BTK with CNX 774 | Descriptor: | 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK | Authors: | Gardberg, A.S. | Deposit date: | 2016-09-20 | Release date: | 2017-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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5UZQ
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5UZR
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5UQS
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7K4D
| Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG | Descriptor: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | Deposit date: | 2020-09-15 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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7K4F
| Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | Descriptor: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | Deposit date: | 2020-09-15 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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