6PK3
 
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7Z90
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8DYV
 | | Structure of human cytoplasmic dynein-1 bound to one Lis1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | | 著者 | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | | 登録日 | 2022-08-05 | | 公開日 | 2023-02-01 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1.
Elife, 12, 2023
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9EPX
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | | 分子名称: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8UND
 | | X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A. | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, ORF1a polyprotein | | 著者 | Mesecar, A.D, Lendy, E.K, Ghosh, A.K, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-10-18 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A.
To Be Published
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6PK1
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8DYU
 | | Structure of human cytoplasmic dynein-1 bound to two Lis1 proteins | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | | 著者 | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | | 登録日 | 2022-08-05 | | 公開日 | 2023-02-01 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1.
Elife, 12, 2023
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9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | 分子名称: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EQ1
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8Q9S
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha', ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | | 著者 | Werner, C, Lindenblatt, D, Niefind, K. | | 登録日 | 2023-08-21 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.352 Å) | | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
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9EPY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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4W5I
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | | 分子名称: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | | 著者 | Haikarainen, T, Lehtio, L. | | 登録日 | 2014-08-18 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
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7M14
 | | x-ray structure of cj1430 in the presence of GDP, a GDP-D-glycero-4-keto-D-lyxo-heptose-3,5-epimerase from campylobacter jejuni | | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, SODIUM ION, ... | | 著者 | Girardi, N.M, Thoden, J.B, Raushel, F.M, Holden, H.M. | | 登録日 | 2021-03-12 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biosynthesis of d- glycero -l- gluco -Heptose in the Capsular Polysaccharides of Campylobacter jejuni .
Biochemistry, 60, 2021
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7O1B
 | | Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate | | 分子名称: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | 登録日 | 2021-03-29 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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8R0I
 | | Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | | 著者 | Yadrykhinsky, V, Brenk, R. | | 登録日 | 2023-10-31 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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5WG8
 | | Structure of PP5C with LB-100; 7-oxabicyclo[2.2.1]heptane-2,3-dicarbonyl moiety modeled in the density | | 分子名称: | (1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | 著者 | D'Arcy, B.M, Swingle, M.R, Honkanen, R.E, Prakash, A. | | 登録日 | 2017-07-13 | | 公開日 | 2018-07-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The Antitumor Drug LB-100 Is a Catalytic Inhibitor of Protein Phosphatase 2A (PPP2CA) and 5 (PPP5C) Coordinating with the Active-Site Catalytic Metals in PPP5C.
Mol. Cancer Ther., 18, 2019
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5MFP
 | | Human Sirt6 in complex with activator UBCS58 | | 分子名称: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | Steegborn, C, You, W, Kambach, C. | | 登録日 | 2016-11-18 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8E0P
 | | Crystal structure of mouse APCDD1 in fusion with engineered MBP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, CHLORIDE ION, ... | | 著者 | Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J. | | 登録日 | 2022-08-09 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8VET
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7WX2
 | | CBP-BrD complexed with NEO2734 | | 分子名称: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | | 著者 | Zeng, L, Lei, J.D. | | 登録日 | 2022-02-14 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
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7M0M
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | 分子名称: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Lesburg, C.A. | | 登録日 | 2021-03-11 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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5ML0
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5MLJ
 | | Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-yl)amino)pyridazin-3(2H)-one | | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Histone acetyltransferase KAT2A | | 著者 | Chung, C.-W. | | 登録日 | 2016-12-06 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
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5MQR
 | | Sialidase BT_1020 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ... | | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | 登録日 | 2016-12-20 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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7R74
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