8UW9
 
 | | Structure of AKT1(E17K) with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-06 | | Release date: | 2024-09-04 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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8UVY
 | | Structure of AKT1(E17K) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-05 | | Release date: | 2024-09-04 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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8UW7
 | | Structure of AKT1(WT) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-06 | | Release date: | 2024-09-04 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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4P1R
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5V5V
 | | Complex of NLGN2 with MDGA1 Ig1-Ig2 | | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (4.11 Å) | | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
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5V5W
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5W0W
 | | Crystal structure of Protein Phosphatase 2A bound to TIPRL | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform, ... | | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
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4QP3
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4QP4
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4QPA
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5W0X
 | | Crystal structure of mouse TOR signaling pathway regulator-like (TIPRL) delta 94-103 | | Descriptor: | TIP41-like protein | | Authors: | Wu, C, Zheng, A, Li, J, Satyshur, K, Xing, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.717 Å) | | Cite: | Methylation-regulated decommissioning of multimeric PP2A complexes.
Nat Commun, 8, 2017
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4QYH
 | | CHK1 kinase domain in complex with diazacarbazole GNE-783 | | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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4RFR
 | | Complex structure of AlkB/rhein | | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | | Deposit date: | 2014-09-27 | | Release date: | 2016-04-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
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4QYG
 | | CHK1 kinase domain in complex with diazacarbazole compound 14 | | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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4QYF
 | | CHK1 kinase domain in complex with aminopyrazine compound 13 | | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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5XOR
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4QP2
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4QP8
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4QYE
 | | CHK1 kinase domain in complex with diarylpyrazine compound 1 | | Descriptor: | 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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4U44
 | | MAP4K4 in complex with inhibitor (compound 16) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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2Z3U
 | | Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | | Descriptor: | 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ... | | Authors: | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | | Deposit date: | 2007-06-06 | | Release date: | 2007-07-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7JUP
 | | Structure of human TRPA1 in complex with antagonist compound 21 | | Descriptor: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L. | | Deposit date: | 2020-08-20 | | Release date: | 2021-03-31 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
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5LP0
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9J0C
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9J7V
 | | Human G6PC1 in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Glucose-6-phosphatase catalytic subunit 1 | | Authors: | Jiang, D.H, Xia, Z.Y. | | Deposit date: | 2024-08-19 | | Release date: | 2025-02-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into glucose-6-phosphate recognition and hydrolysis by human G6PC1.
Proc.Natl.Acad.Sci.USA, 122, 2025
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