5DAD
 
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014 | | 分子名称: | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile, Kelch-like ECH-associated protein 1 | | 著者 | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | 登録日 | 2015-08-19 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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8RS9
 | | p97 (VCP) double mutant - F266A F539A | | 分子名称: | Transitional endoplasmic reticulum ATPase | | 著者 | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | 登録日 | 2024-01-24 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | p97 (VCP) double mutant - F266A F539A
To Be Published
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8R74
 | | Galectin-1 in complex with thiogalactoside derivative | | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1 | | 著者 | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | | 登録日 | 2023-11-23 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
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2FZ3
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8RG1
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8 | | 分子名称: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | | 著者 | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | 登録日 | 2023-12-13 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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5DAS
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2FWP
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5DB2
 | | Menin in complex with MI-389 | | 分子名称: | 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | 登録日 | 2015-08-20 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | 著者 | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | 登録日 | 2006-02-09 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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8REF
 | | Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | | 登録日 | 2023-12-11 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
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8RH6
 | | Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
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2G0G
 | | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | | 分子名称: | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | | 著者 | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | | 登録日 | 2006-02-13 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
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5DBS
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8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | 分子名称: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2024-02-01 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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8S86
 | | human PLD3 homodimer structure | | 分子名称: | 5'-3' exonuclease PLD3 | | 著者 | Lammens, K. | | 登録日 | 2024-03-05 | | 公開日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Lysosomal endonuclease RNase T2 and PLD exonucleases cooperatively generate RNA ligands for TLR7 activation.
Immunity, 2024
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2FXV
 | | Bacillus subtilis Xanthine Phosphoribosyltransferase in Complex with Guanosine 5'-monophosphate (GMP) | | 分子名称: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Xanthine phosphoribosyltransferase | | 著者 | Arent, S, Kadziola, A, Larsen, S, Neuhard, J, Jensen, K.F. | | 登録日 | 2006-02-06 | | 公開日 | 2006-06-20 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The Extraordinary Specificity of Xanthine Phosphoribosyltransferase from Bacillus subtilis Elucidated
by Reaction Kinetics, Ligand Binding, and Crystallography
Biochemistry, 45, 2006
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8R9S
 | | A soakable crystal form of human CDK7 in complex with AMP-PNP | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mukherjee, M, Cleasby, A. | | 登録日 | 2023-11-30 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 2024
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2G0Y
 | | Crystal Structure of a Lumenal Pentapeptide Repeat Protein from Cyanothece sp 51142 at 2.3 Angstrom Resolution. Tetragonal Crystal Form | | 分子名称: | CALCIUM ION, pentapeptide repeat protein | | 著者 | Kennedy, M.A, Ni, S, Buchko, G.W, Robinson, H. | | 登録日 | 2006-02-13 | | 公開日 | 2006-11-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Characterization of two potentially universal turn motifs that shape the repeated five-residues fold - Crystal structure of a lumenal pentapeptide repeat protein from Cyanothece 51142
Protein Sci., 15, 2006
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8S4S
 | | PrgE from plasmid pCF10 | | 分子名称: | POTASSIUM ION, PrgE, SULFATE ION | | 著者 | Breidenstein, A, Berntsson, R.P.-A. | | 登録日 | 2024-02-22 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | PrgE: an OB-fold protein from plasmid pCF10 with striking differences to prototypical bacterial SSBs.
Life Sci Alliance, 7, 2024
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5DCH
 | | Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, GLYCEROL, ... | | 著者 | McMahon, R.M, Martin, J.L. | | 登録日 | 2015-08-24 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | | 主引用文献 | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
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8SNO
 | | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 | | 分子名称: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | | 著者 | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | | 登録日 | 2023-04-27 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | | 主引用文献 | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2
To Be Published
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2FYY
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8ROZ
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5DDE
 | | Menin in complex with MI-859 | | 分子名称: | 1,2-ETHANEDIOL, 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | 著者 | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | 登録日 | 2015-08-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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8RBU
 | | Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | | 登録日 | 2023-12-05 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
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