5UK8
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![BU of 5uk8 by Molmil](/molmil-images/mine/5uk8) | The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR | Descriptor: | (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Mamo, M, Elling, R.A. | Deposit date: | 2017-01-20 | Release date: | 2017-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors. J. Mol. Biol., 429, 2017
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5UL1
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![BU of 5ul1 by Molmil](/molmil-images/mine/5ul1) | The co-structure of 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide and a rationally designed PI3K-alpha mutant that mimics ATR | Descriptor: | 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A, Mamo, M. | Deposit date: | 2017-01-23 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors. J. Mol. Biol., 429, 2017
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5UKJ
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![BU of 5ukj by Molmil](/molmil-images/mine/5ukj) | The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A, Mamo, M. | Deposit date: | 2017-01-23 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors. J. Mol. Biol., 429, 2017
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7CFP
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![BU of 7cfp by Molmil](/molmil-images/mine/7cfp) | |
7CFQ
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![BU of 7cfq by Molmil](/molmil-images/mine/7cfq) | Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ... | Authors: | Zhao, J, Zhang, X, Zang, J. | Deposit date: | 2020-06-27 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the recognition of histone H3Q5 serotonylation by WDR5. Sci Adv, 7, 2021
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8BJ8
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![BU of 8bj8 by Molmil](/molmil-images/mine/8bj8) | |
7EOQ
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7EOT
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7EOU
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![BU of 7eou by Molmil](/molmil-images/mine/7eou) | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
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7EOS
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7EOR
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![BU of 7eor by Molmil](/molmil-images/mine/7eor) | Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ... | Authors: | Wang, H, Zhu, S. | Deposit date: | 2021-04-22 | Release date: | 2021-06-30 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors. Neuron, 109, 2021
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2JF0
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![BU of 2jf0 by Molmil](/molmil-images/mine/2jf0) | Mus musculus acetylcholinesterase in complex with tabun and Ortho-7 | Descriptor: | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Ekstrom, F, Astot, C, Pang, Y.P. | Deposit date: | 2007-01-25 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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2JEY
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![BU of 2jey by Molmil](/molmil-images/mine/2jey) | Mus musculus acetylcholinesterase in complex with HLo-7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Ekstrom, F, Astot, C, Pang, Y.P. | Deposit date: | 2007-01-25 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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2JEZ
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![BU of 2jez by Molmil](/molmil-images/mine/2jez) | Mus musculus acetylcholinesterase in complex with tabun and HLo-7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Ekstrom, F, Astot, C, Pang, Y.P. | Deposit date: | 2007-01-25 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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7Y4F
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![BU of 7y4f by Molmil](/molmil-images/mine/7y4f) | bacterial DPP4 | Descriptor: | Dipeptidyl peptidase IV | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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7Y4G
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![BU of 7y4g by Molmil](/molmil-images/mine/7y4g) | sit-bound btDPP4 | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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4M9Z
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![BU of 4m9z by Molmil](/molmil-images/mine/4m9z) | Crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.405 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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4M9S
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![BU of 4m9s by Molmil](/molmil-images/mine/4m9s) | crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.207 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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4M9X
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![BU of 4m9x by Molmil](/molmil-images/mine/4m9x) | Crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.344 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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4M9Y
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![BU of 4m9y by Molmil](/molmil-images/mine/4m9y) | Crystal structure of CED-4 bound CED-3 fragment | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3. Genes Dev., 27, 2013
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4M9R
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![BU of 4m9r by Molmil](/molmil-images/mine/4m9r) | Crystal structure of CED-3 | Descriptor: | Cell death protein 3 | Authors: | Xu, Y, Jeffrey, P.D, Shi, Y.G. | Deposit date: | 2013-08-15 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.656 Å) | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3 Genes Dev., 27, 2013
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3KDH
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![BU of 3kdh by Molmil](/molmil-images/mine/3kdh) | Structure of ligand-free PYL2 | Descriptor: | Putative uncharacterized protein At2g26040 | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | Deposit date: | 2009-10-22 | Release date: | 2009-11-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins Nat.Struct.Mol.Biol., 16, 2009
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5X7J
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![BU of 5x7j by Molmil](/molmil-images/mine/5x7j) | Crystal structure of thymidylate kinase from thermus thermophilus HB8 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-02-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase. Int. J. Biol. Macromol., 123, 2019
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5ZB4
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![BU of 5zb4 by Molmil](/molmil-images/mine/5zb4) | Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2018-02-09 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase. Int. J. Biol. Macromol., 123, 2018
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5ZB0
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![BU of 5zb0 by Molmil](/molmil-images/mine/5zb0) | Crystal structure of thymidylate kinase in complex with ADP and TDP from thermus thermophilus HB8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2018-02-09 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase. Int. J. Biol. Macromol., 123, 2018
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