7TZY
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5K8S
| cAMP bound PfPKA-R (297-441) | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CAMP-dependent protein kinase regulatory subunit | Authors: | Littler, D.R, Gilson, P.R, Crabb, B.S, Rossjohn, J.J. | Deposit date: | 2016-05-31 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit. J. Biol. Chem., 291, 2016
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7U71
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5KE0
| Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Lim, J. | Deposit date: | 2016-06-09 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
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7TRT
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8IYG
| Human neuronal gap junction channel connexin 36 | Descriptor: | CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein | Authors: | Mao, W.X, Chen, S.S. | Deposit date: | 2023-04-04 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM. Arch.Biochem.Biophys., 754, 2024
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7TZN
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8DNK
| Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6 | Descriptor: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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7TRU
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5KDY
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7TZW
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7TZX
| The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid | Descriptor: | 4-(chloromethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Scaffidi-Muta, J, Bell, S.G. | Deposit date: | 2022-02-16 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.414 Å) | Cite: | Cytochrome P450-catalyzed oxidation of halogen-containing substrates. J.Inorg.Biochem., 244, 2023
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6KZI
| Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | Descriptor: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2019-09-24 | Release date: | 2020-03-04 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6KZR
| Crystal structure of mouse DCAR2 CRD domain | Descriptor: | C-type lectin domain family 4, member b1, CALCIUM ION, ... | Authors: | Omahdi, Z, Horikawa, Y, Toyonaga, K, Teramoto, T, Kakuta, Y, Yamasaki, S. | Deposit date: | 2019-09-25 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR. J.Biol.Chem., 295, 2020
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5KHK
| HCN2 CNBD in complex with 2-aminopurine riboside-3', 5'-cyclic monophosphate (2-NH2-cPuMP) | Descriptor: | 2-Aminopurine riboside-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | Deposit date: | 2016-06-14 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening. Structure, 24, 2016
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6LB1
| Cryo-EM structure of echovirus 11 A-particle at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-13 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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6A8O
| Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16 | Descriptor: | Plasma kallikrein, alpha-D-mannopyranose, peptide inhibitor,, ... | Authors: | Xu, M, Jiang, L, Huang, M. | Deposit date: | 2018-07-09 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Crystal structure of plasma kallikrein reveals the unusual flexibility of the S1 pocket triggered by Glu217. Febs Lett., 592, 2018
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5KHJ
| HCN2 CNBD in complex with uridine-3', 5'-cyclic monophosphate (cUMP) | Descriptor: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Uridine-3',5'-cyclic monophosphate | Authors: | Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A. | Deposit date: | 2016-06-14 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening. Structure, 24, 2016
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6L15
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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5KIC
| Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series | Descriptor: | CALIFORNIUM ION, CHLORIDE ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ... | Authors: | Rupert, P.B, Strong, R.K. | Deposit date: | 2016-06-16 | Release date: | 2017-04-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Chelation and stabilization of berkelium in oxidation state +IV. Nat Chem, 9, 2017
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8J4L
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6AEA
| Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions | Descriptor: | CHLORIDE ION, Lysozyme C, N,N,N',N'-tetramethylethane-1,2-diamine, ... | Authors: | Seraj, Z, Seyedarabi, A. | Deposit date: | 2018-08-04 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL. Plos One, 15, 2020
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8DNI
| Crystal structure of human KRAS G12C covalently bound with Araxes WO2020/028706A1 compound I-1 | Descriptor: | (4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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6LCW
| Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark | Descriptor: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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8DNJ
| Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | Descriptor: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Mohr, C. | Deposit date: | 2022-07-11 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022
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