6KBI
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![BU of 6kbi by Molmil](/molmil-images/mine/6kbi) | Crystal structure of ErbB3 N418Q mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-3 | Authors: | Kato, K, Yao, M. | Deposit date: | 2019-06-25 | Release date: | 2020-07-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of ErbB3 N418Q mutant To Be Published
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7NV1
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![BU of 7nv1 by Molmil](/molmil-images/mine/7nv1) | Human Pol Kappa holoenzyme with Ub-PCNA | Descriptor: | DNA Primer, DNA Template, DNA polymerase kappa, ... | Authors: | Lancey, C, De Biasio, A, Hamdan, S.M. | Deposit date: | 2021-03-15 | Release date: | 2021-11-03 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA. Nat Commun, 12, 2021
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7NV0
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![BU of 7nv0 by Molmil](/molmil-images/mine/7nv0) | Human Pol Kappa holoenzyme with wt PCNA | Descriptor: | DNA Primer, DNA Template, DNA polymerase kappa, ... | Authors: | Lancey, C, De Biasio, A, Hamdan, S.M. | Deposit date: | 2021-03-15 | Release date: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA. Nat Commun, 12, 2021
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6ANL
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![BU of 6anl by Molmil](/molmil-images/mine/6anl) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, TAK-715 | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-08-14 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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8HV4
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![BU of 8hv4 by Molmil](/molmil-images/mine/8hv4) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV1
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![BU of 8hv1 by Molmil](/molmil-images/mine/8hv1) | Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV5
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![BU of 8hv5 by Molmil](/molmil-images/mine/8hv5) | Crystal structure of EGFR_DMX in complex with compound 7 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV6
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![BU of 8hv6 by Molmil](/molmil-images/mine/8hv6) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV3
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![BU of 8hv3 by Molmil](/molmil-images/mine/8hv3) | Crystal structure of EGFR_DMX in complex with covalently bound fragment 4 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV2
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![BU of 8hv2 by Molmil](/molmil-images/mine/8hv2) | |
8HV8
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![BU of 8hv8 by Molmil](/molmil-images/mine/8hv8) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV9
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![BU of 8hv9 by Molmil](/molmil-images/mine/8hv9) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV7
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![BU of 8hv7 by Molmil](/molmil-images/mine/8hv7) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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4XR0
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![BU of 4xr0 by Molmil](/molmil-images/mine/4xr0) | |
4XR1
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![BU of 4xr1 by Molmil](/molmil-images/mine/4xr1) | |
4XR3
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![BU of 4xr3 by Molmil](/molmil-images/mine/4xr3) | |
6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6M95
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![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-22 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6OHD
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![BU of 6ohd by Molmil](/molmil-images/mine/6ohd) | P38 in complex with T-3220137 | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2019-04-05 | Release date: | 2019-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
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2RR4
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![BU of 2rr4 by Molmil](/molmil-images/mine/2rr4) | Complex structure of the zf-CW domain and the H3K4me3 peptide | Descriptor: | Histone H3, ZINC ION, Zinc finger CW-type PWWP domain protein 1 | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-03-24 | Release date: | 2010-09-15 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structural insight into the zinc finger CW domain as a histone modification reader Structure, 18, 2010
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3JRS
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![BU of 3jrs by Molmil](/molmil-images/mine/3jrs) | Crystal structure of (+)-ABA-bound PYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At5g46790 | Authors: | Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M. | Deposit date: | 2009-09-08 | Release date: | 2009-11-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of abscisic acid signalling Nature, 462, 2009
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3JRQ
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![BU of 3jrq by Molmil](/molmil-images/mine/3jrq) | Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Protein phosphatase 2C 56, Putative uncharacterized protein At5g46790 | Authors: | Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M. | Deposit date: | 2009-09-08 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of abscisic acid signalling Nature, 462, 2009
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5WJJ
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![BU of 5wjj by Molmil](/molmil-images/mine/5wjj) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-07-23 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
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1IRY
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![BU of 1iry by Molmil](/molmil-images/mine/1iry) | Solution structure of the hMTH1, a nucleotide pool sanitization enzyme | Descriptor: | hMTH1 | Authors: | Mishima, M, Itoh, N, Sakai, Y, Kamiya, H, Nakabeppu, Y, Shirakawa, M. | Deposit date: | 2001-10-25 | Release date: | 2003-12-23 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of human MTH1, a Nudix family hydrolase that selectively degrades oxidized purine nucleoside triphosphates J.Biol.Chem., 279, 2004
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2VKE
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![BU of 2vke by Molmil](/molmil-images/mine/2vke) | |