7T1U
 
 | | Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide | | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, Synthetic phosphopeptide, ZINC ION | | 著者 | Martyn, G.D, Singer, A.U, Manczyk, N, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | 登録日 | 2021-12-02 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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6P0K
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | 分子名称: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0O
 | | Crystal structure of GDP-bound human RalA | | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6V67
 | | Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 | | 分子名称: | PD-1 Binding Miniprotein GR918.2 | | 著者 | Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. | | 登録日 | 2019-12-04 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Computational design of a synthetic PD-1 agonist.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7SMC
 | | p107 pocket domain complexed with ARID4A peptide | | 分子名称: | AT-rich interactive domain-containing protein 4A, Retinoblastoma-like protein 1, SULFATE ION | | 著者 | Putta, S, Fernandez, S.M, Tripathi, S.M, Muller, G.A, Rubin, S.M. | | 登録日 | 2021-10-25 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family.
Structure, 30, 2022
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6UTQ
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with cadmium | | 分子名称: | ATP-dependent sacrificial sulfur transferase LarE, CADMIUM ION, PHOSPHATE ION, ... | | 著者 | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | 登録日 | 2019-10-29 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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6MAJ
 | | HBO1 is required for the maintenance of leukaemia stem cells | | 分子名称: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | | 著者 | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | 登録日 | 2018-08-27 | | 公開日 | 2019-12-25 | | 最終更新日 | 2020-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.139 Å) | | 主引用文献 | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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7T5R
 | | P. aeruginosa LpxA in complex with ligand H7 | | 分子名称: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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6MAV
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6MB5
 | | AAC-IIIb binary with NEOMYCIN | | 分子名称: | Aac(3)-IIIb protein, NEOMYCIN | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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5ANV
 | | MTH1 in complex with compound 15 | | 分子名称: | 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | | 著者 | Read, J.A, Breed, J. | | 登録日 | 2015-09-08 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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7TE2
 | | Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A. | | 分子名称: | AerR, CHLORIDE ION, COBALAMIN, ... | | 著者 | Dragnea, V, Gonzalez-Gutierrez, G, Bauer, C.E. | | 登録日 | 2022-01-04 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Analyses of CrtJ and Its B 12 -Binding Co-Regulators SAerR and LAerR from the Purple Photosynthetic Bacterium Rhodobacter capsulatus.
Microorganisms, 10, 2022
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8D47
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6MB7
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8D39
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5AOG
 | | Structure of Sorghum peroxidase | | 分子名称: | 1H-INDOL-3-YLACETIC ACID, CALCIUM ION, CATIONIC PEROXIDASE SPC4, ... | | 著者 | Kwon, H, Nnamchi, C.I, Parkin, G, Efimov, I, Agirre, J, Basran, J, Raven, E.L, Moody, P.C.E. | | 登録日 | 2015-09-10 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Structural and Spectroscopic Characterisation of a Heme Peroxidase from Sorghum.
J.Biol.Inorg.Chem., 21, 2016
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6UUP
 | | Structure of anti-hCD33 conditional scFv | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-CD33 conditional scFv, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kimberlin, C.R, Park, S. | | 登録日 | 2019-10-31 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.20001864 Å) | | 主引用文献 | Direct control of CAR T cells through small molecule-regulated antibodies.
Nat Commun, 12, 2021
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7WH4
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6MDE
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7TA2
 | | Crystal structure of the human sperm-expressed surface protein SPACA6 | | 分子名称: | BROMIDE ION, Sperm acrosome membrane-associated protein 6 | | 著者 | Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E. | | 登録日 | 2021-12-20 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins.
Commun Biol, 5, 2022
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5AOZ
 | | High resolution SeMet structure of the third cohesin from Ruminococcus flavefaciens scaffoldin protein, ScaB | | 分子名称: | GLYCEROL, PUTATIVE CELLULOSOMAL SCAFFOLDIN PROTEIN | | 著者 | Bule, P, Carvalho, A.L, Santos, H, Fontes, C.M.G.A, Najmudin, S. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Structural Characterization of the Third Cohesin from Ruminococcus Flavefaciens Scaffoldin Protein, Scab
To be Published
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6ALZ
 | | Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin | | 分子名称: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2017-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.208 Å) | | 主引用文献 | PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
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6MC2
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5AQ1
 | | Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH | | 分子名称: | 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T. | | 登録日 | 2015-09-18 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme.
FEBS Lett., 590, 2016
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6AM9
 | | Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser-bound in a predominantly closed state. | | 分子名称: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, SODIUM ION, Tryptophan synthase beta chain 1, ... | | 著者 | Buller, A.R, van Roye, P. | | 登録日 | 2017-08-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
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