6MQN
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6MRQ
| Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Fernandes, J.C, Mourao, C.B.F, Schwartz, E.F, Barbosa, J.A.R.G. | Deposit date: | 2018-10-15 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.288 Å) | Cite: | Head-to-Tail Cyclization after Interaction with Trypsin: A Scorpion Venom Peptide that Resembles Plant Cyclotides. J.Med.Chem., 63, 2020
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6CPB
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5KZI
| Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor. | Descriptor: | Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine | Authors: | Mohr, C. | Deposit date: | 2016-07-25 | Release date: | 2016-11-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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6MV0
| CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6MV6
| Crystal structure of RNAse 6 | Descriptor: | PHOSPHATE ION, Ribonuclease K6 | Authors: | Couture, J.-F, Doucet, N. | Deposit date: | 2018-10-24 | Release date: | 2019-11-13 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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5L1S
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5L2S
| The X-ray co-crystal structure of human CDK6 and Abemaciclib. | Descriptor: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol.Cancer Ther., 15, 2016
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6CTH
| Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao | Descriptor: | ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ... | Authors: | Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-23 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao To Be Published
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5KJZ
| Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | Deposit date: | 2016-06-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J., 474, 2017
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5J3U
| Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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6MZA
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5J48
| PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP | Descriptor: | 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | Deposit date: | 2016-03-31 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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6N1O
| Oxidized rat cytochrome c mutant (S47E) | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c, somatic, ... | Authors: | Huttemann, M, Edwards, B.F.P. | Deposit date: | 2018-11-09 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity. Faseb J., 33, 2019
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5IUT
| STRUCTURE OF P450 2B4 F202W MUTANT | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | Deposit date: | 2016-03-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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6N2K
| Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | Descriptor: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vigers, G.P. | Deposit date: | 2018-11-13 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
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5J5X
| Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... | Authors: | Alam, K.A, Ivan, T, Uri, A, Engh, R.A. | Deposit date: | 2016-04-04 | Release date: | 2016-07-20 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
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6BXI
| X-ray crystal structure of NDR1 kinase domain | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase 38 | Authors: | Xiong, S, Sicheri, F. | Deposit date: | 2017-12-18 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Auto-Inhibition of the NDR1 Kinase Domain by an Atypically Long Activation Segment. Structure, 26, 2018
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6C94
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8ONI
| Human insulin in complex with the analytical antibody S1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of analytical antibody S1 Fab, Insulin A chain, ... | Authors: | Johansson, E. | Deposit date: | 2023-04-03 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Macromolecular structure of insulin and IgE clonality impacts IgE-mediated activation of sensitized basophils To Be Published
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6N4U
| MicroED structure of Proteinase K at 2.75A resolution from a single milled crystal. | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T. | Deposit date: | 2018-11-20 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2.75 Å) | Cite: | Collection of Continuous Rotation MicroED Data from Ion Beam-Milled Crystals of Any Size. Structure, 27, 2019
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5JB7
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8ONK
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6ML3
| ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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8OUM
| Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GTP | Descriptor: | GTP-binding protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R. | Deposit date: | 2023-04-24 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Arf Family GTPases are present in Asgard archaea To Be Published
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