8VFO
| Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) | 分子名称: | CITRIC ACID, D-dopachrome decarboxylase | 著者 | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | 登録日 | 2023-12-21 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
|
|
9FAY
| Gcase in complex with small molecule inhibitor 1 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Tisi, D, Cleasby, A. | 登録日 | 2024-05-10 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
|
|
8VFW
| Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) | 分子名称: | CITRIC ACID, D-dopachrome decarboxylase | 著者 | Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. | 登録日 | 2023-12-22 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
|
|
8WJ1
| cryo-EM structure of human haemoglobin in oxy form | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | 著者 | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | 登録日 | 2023-09-25 | 公開日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (2.27 Å) | 主引用文献 | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM. Nat Commun, 15, 2024
|
|
8VG8
| Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | 分子名称: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase | 著者 | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | 登録日 | 2023-12-23 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
|
|
6U0W
| Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | 登録日 | 2019-08-15 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
|
|
8X6R
| KRasG12C in complex with inhibitor | 分子名称: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Amano, Y, Tateishi, Y. | 登録日 | 2023-11-21 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
|
|
3UYX
| Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin | 分子名称: | Hemagglutinin, NITRATE ION | 著者 | Xuan, C.L, Shi, Y, Qi, J.X, Xiao, H.X, Gao, G.F. | 登録日 | 2011-12-06 | 公開日 | 2012-10-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural vaccinology: structure-based design of influenza A virus hemagglutinin subtype-specific subunit vaccines Protein Cell, 2, 2011
|
|
8WY7
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | 登録日 | 2023-10-30 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
9BE0
| GC-centric NF-kappaB RelA binding DNA | 分子名称: | ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*G)-3'), ZINC ION | 著者 | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | 登録日 | 2024-04-13 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
9C0Y
| Clathrin terminal domain complexed with Pitstop 2c | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | 著者 | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | 登録日 | 2024-05-28 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
|
|
8VY6
| Murine light chain dimer | 分子名称: | 6A8 light chain, SULFATE ION | 著者 | Kapingidza, A.B, Dolamore, C, Hyduke, N.P, Easly, W, Chivv, C, Pomes, A, Chruszcz, M. | 登録日 | 2024-02-07 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural, Biophysical, and Computational Studies of a Murine Light Chain Dimer. Molecules, 29, 2024
|
|
9C1Q
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | 登録日 | 2024-05-29 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound To be published
|
|
9B7F
| S_SAD structure of HEWL using lossless default compression | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | 登録日 | 2024-03-27 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments To Be Published
|
|
8X38
| Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium | 分子名称: | ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M. | 登録日 | 2023-11-12 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium To Be Published
|
|
8WOW
| Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ... | 著者 | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | 登録日 | 2023-10-08 | 公開日 | 2024-05-15 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
|
|
9C11
| Crystal structure of Staphylococcal nuclease variant Delta+PHS L36R at cryogenic temperature | 分子名称: | CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE | 著者 | Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B. | 登録日 | 2024-05-28 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Domain-swapping promoted by the introduction of a charge in the hydrophobic interior of a protein To Be Published
|
|
8WZU
| |
9BDX
| NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA | 分子名称: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65 | 著者 | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | 登録日 | 2024-04-12 | 公開日 | 2024-04-24 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8YFZ
| CRYSTAL STRUCTURE OF THE EST1 H274E MUTANT AT PH 4.2 | 分子名称: | Carboxylesterase, octyl beta-D-glucopyranoside | 著者 | Unno, H, Oshima, Y, Nishino, T, Nakayama, T, Kusunoki, M. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Lowering pH optimum of activity of SshEstI, a slightly alkaliphilic archaeal esterase of the hormone-sensitive lipase family. J.Biosci.Bioeng., 2024
|
|
8XMS
| |
6U1G
| Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | 著者 | Pederick, J.L, Bruning, J.B. | 登録日 | 2019-08-15 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations. J.Biol.Chem., 295, 2020
|
|
8YVG
| canine immunoproteasome 20S subunit in complex with compound 1 | 分子名称: | Proteasome subunit alpha type, Proteasome subunit beta, Proteasome subunit beta type-8, ... | 著者 | Kashima, A, Arai, Y. | 登録日 | 2024-03-28 | 公開日 | 2024-07-31 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor. Bioorg.Med.Chem., 109, 2024
|
|
8WYG
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | 分子名称: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | 著者 | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | 登録日 | 2023-10-30 | 公開日 | 2024-01-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
|
|
8VFN
| Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K | 分子名称: | D-dopachrome decarboxylase | 著者 | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | 登録日 | 2023-12-21 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
|
|