7UPI
 
 | | Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | | Deposit date: | 2022-04-15 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
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8GJW
 | | Structure of a cGAS-like receptor Cv-cGLR1 from C. virginica | | Descriptor: | SULFATE ION, cGAS-like receptor 1 | | Authors: | Li, Y, Morehouse, B.R, Slavik, K.M, Liu, J, Toyoda, H, Kranzusch, P.J. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
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8GJX
 | | Structure of the human STING receptor bound to 2'3'-cUA | | Descriptor: | 2'3'-cUA, Stimulator of interferon genes protein | | Authors: | Morehouse, B.R, Li, Y, Slavik, K.M, Toyoda, H, Kranzusch, P.J. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
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8GJZ
 | | Structure of a STING receptor from S. pistillata Sp-STING1 bound to 2'3'-cUA | | Descriptor: | 2'3'-cUA, Stimulator of interferon genes protein | | Authors: | Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
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7XRB
 | | human STK19 dimer | | Descriptor: | CHLORIDE ION, Isoform 2 of Serine/threonine-protein kinase 19, SULFATE ION | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2022-05-10 | | Release date: | 2023-06-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | human STK19 dimer
To Be Published
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7KDN
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7KVY
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7KNP
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7KNO
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7KCP
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7KDS
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7YQ0
 | | Crystal structure of adenosine 5'-phosphosulfate kinase from Archaeoglobus fulgidus in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylyl-sulfate kinase, GLYCEROL, ... | | Authors: | Kawakami, T, Teramoto, T, Kakuta, Y. | | Deposit date: | 2022-08-05 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of adenosine 5'-phosphosulfate kinase isolated from Archaeoglobus fulgidus.
Biochem.Biophys.Res.Commun., 643, 2022
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7Z6U
 | | Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | Descriptor: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2022-03-14 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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7MJ1
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2021-04-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.402 Å) | | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7XNE
 | | Crystal structure of CBP bromodomain liganded with Y08284 | | Descriptor: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | | Deposit date: | 2022-04-28 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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7MJ2
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | | Authors: | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2021-04-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7XSV
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | Descriptor: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | Authors: | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | Deposit date: | 2022-05-15 | | Release date: | 2022-07-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
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7XYH
 | | Crystal structure of CK2a2 complexed with AG1112 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha' | | Authors: | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | | Deposit date: | 2022-06-01 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
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7WN7
 | | Crystal structure of HearNPV P26 | | Descriptor: | CHLORIDE ION, SULFATE ION, p26 | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2022-01-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dual roles and evolutionary implications of P26/poxin in antagonizing intracellular cGAS-STING and extracellular melanization immunity.
Nat Commun, 13, 2022
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6DV2
 | | Crystal Structure of Human Mitochondrial Trifunctional Protein | | Descriptor: | Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta | | Authors: | Fu, Z, Xia, C, Battaile, K.P, Kim, J.P. | | Deposit date: | 2018-06-22 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structure of human mitochondrial trifunctional protein, a fatty acid beta-oxidation metabolon.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7CVN
 | | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X, Zhou, J, Xu, B. | | Deposit date: | 2020-08-26 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Design,synthesis,biological evaluation and binding mode analysis of 7-nitro-indole-N-acylarylsulfonamide-based fructose-1,6-bisphosphatase inhibitors
Chinese journal of medicinal chemistry, 30, 2020
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6U3R
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1NV4
 | | Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (1 mM) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ... | | Authors: | Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2003-02-02 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
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6EJT
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6EKD
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-09-26 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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