6MO9
| N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | 分子名称: | Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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3SMI
| Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a quinazoline inhibitor | 分子名称: | 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-06-28 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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3SN8
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4D9R
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3SML
| Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A aglycone, ... | 著者 | Anders, C, Schumacher, B, Ottmann, C. | 登録日 | 2011-06-28 | 公開日 | 2012-07-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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3SAP
| Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ... | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | 登録日 | 2011-06-03 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
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6HZM
| Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | 著者 | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | 登録日 | 2018-10-23 | 公開日 | 2018-11-14 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | 主引用文献 | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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3SAX
| Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | 分子名称: | 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | 登録日 | 2011-06-03 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
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3SD5
| Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine | 分子名称: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2011-06-08 | 公開日 | 2012-01-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Identification and Characterization of NVP-BKM120, an Orally Available Pan-Class I PI3-Kinase Inhibitor. Mol.Cancer Ther., 11, 2012
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3S8X
| Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | 分子名称: | 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | 登録日 | 2011-05-31 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
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3S4S
| Crystal structure of CD4 mutant bound to HLA-DR1 | 分子名称: | GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Li, Y. | 登録日 | 2011-05-20 | 公開日 | 2011-09-21 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex. Proc.Natl.Acad.Sci.USA, 108, 2011
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6MO8
| N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor | 分子名称: | 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION | 著者 | Lansdon, E.B, Newby, Z.E.R. | 登録日 | 2018-10-04 | 公開日 | 2019-01-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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7Q6N
| Structure of WrbA from Salmonella Typhimurium bound to ME0052 | 分子名称: | 2-azanyl-4,6-bis(bromanyl)phenol, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone), ... | 著者 | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | 登録日 | 2021-11-08 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
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7Q6M
| Structure of WrbA from Yersinia pseudotuberculosis in P1 | 分子名称: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | 著者 | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | 登録日 | 2021-11-08 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
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6N54
| Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidocytidine monophosphate | 分子名称: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate), GLYCEROL, MAGNESIUM ION, ... | 著者 | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | 登録日 | 2018-11-21 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.424 Å) | 主引用文献 | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA. Nat.Methods, 17, 2020
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3SMM
| Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ... | 著者 | Anders, C, Schumacher, B, Ottmann, C. | 登録日 | 2011-06-28 | 公開日 | 2012-07-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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6ZMU
| Crystal structure of the germline-specific thioredoxin protein Deadhead (Thioredoxin-1) from Drospohila melanogaster, P43212 | 分子名称: | SODIUM ION, SULFATE ION, Thioredoxin-1 | 著者 | Baginski, B, Pluta, R, Macias, M.J. | 登録日 | 2020-07-03 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins. Iucrj, 8, 2021
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6N53
| Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine monophosphate | 分子名称: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate, GLYCEROL, MAGNESIUM ION, ... | 著者 | Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W. | 登録日 | 2018-11-21 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | An optimized chemical-genetic method for cell-specific metabolic labeling of RNA. Nat.Methods, 17, 2020
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4LHX
| Crystal structure of nucleotide-free Rab8:Rabin8 | 分子名称: | Rab-3A-interacting protein, Ras-related protein Rab-8A, SULFATE ION | 著者 | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | 登録日 | 2013-07-01 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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3SMK
| Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A | 分子名称: | 14-3-3 protein sigma, Cotylenin A, MAGNESIUM ION, ... | 著者 | Anders, C, Schumacher, B, Ottmann, C. | 登録日 | 2011-06-28 | 公開日 | 2012-07-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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3SMN
| Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | 著者 | Anders, C, Schumacher, B, Ottmann, C. | 登録日 | 2011-06-28 | 公開日 | 2012-07-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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3SMJ
| Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor | 分子名称: | 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase 14 | 著者 | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-06-28 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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3SNA
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4NAW
| Crystal Structure of Human ATG12~ATG5-ATG16N in complex with a fragment of ATG3 | 分子名称: | Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ... | 著者 | Metlagel, Z, Otomo, C, Takaesu, G, Otomo, T. | 登録日 | 2013-10-22 | 公開日 | 2013-11-06 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Structural basis of ATG3 recognition by the autophagic ubiquitin-like protein ATG12. Proc.Natl.Acad.Sci.USA, 110, 2013
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3R3D
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | 分子名称: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | 著者 | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | 登録日 | 2011-03-15 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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