8Y7F
 
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2MRO
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8Y7G
 | | Crystal structure of the Marinitoga sp. Csx1-Crn2 H495A mutant in complex with cyclic-tetraadenylate (cA4) | | 分子名称: | ACETATE ION, CRISPR-associated protein, RNA (5'-R(P*AP*A)-3'), ... | | 著者 | Zhang, D, Yuan, C, Lin, Z. | | 登録日 | 2024-02-04 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural insight into the Csx1-Crn2 fusion self-limiting ribonuclease of type III CRISPR system.
Nucleic Acids Res., 52, 2024
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8Y6Z
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8Y75
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2MR9
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5KPM
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | | 分子名称: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | 登録日 | 2016-07-04 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5KPL
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | 登録日 | 2016-07-04 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5V8E
 | | Structure of Bacillus cereus PatB1 | | 分子名称: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | 登録日 | 2017-03-21 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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5KPK
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | | 分子名称: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | 登録日 | 2016-07-04 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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8SPM
 | | Crystal structure of NikA in complex Ni-AMA | | 分子名称: | Aspergillomarasmine A, NICKEL (II) ION, Nickel ABC transporter, ... | | 著者 | Sychantha, D, Prehna, G, Wright, G.D. | | 登録日 | 2023-05-03 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Targeting bacterial nickel transport with aspergillomarasmine A suppresses virulence-associated Ni-dependent enzymes.
Nat Commun, 15, 2024
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4YH4
 | | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | | 分子名称: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2015-02-26 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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5V8D
 | | Structure of Bacillus cereus PatB1 with sulfonyl adduct | | 分子名称: | Bacillus cereus PatB1, SULFATE ION | | 著者 | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | 登録日 | 2017-03-21 | | 公開日 | 2017-10-18 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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1H6H
 | | Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate | | 分子名称: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4 | | 著者 | Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L. | | 登録日 | 2001-06-15 | | 公開日 | 2001-11-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
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1ATL
 | | Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D) | | 分子名称: | CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ... | | 著者 | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | | 登録日 | 1995-05-26 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Proc.Natl.Acad.Sci.USA, 91, 1994
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6CZV
 | | BRD4(BD1) complexed with 2759 | | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2018-04-09 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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6CZU
 | | BRD4(BD1) complexed with 3219 | | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ... | | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2018-04-09 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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8UK6
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6BT4
 | | Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit | | 分子名称: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION | | 著者 | Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J. | | 登録日 | 2017-12-05 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.306 Å) | | 主引用文献 | Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
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1O7K
 | | human p47 PX domain complex with sulphates | | 分子名称: | NEUTROPHIL CYTOSOL FACTOR 1, SULFATE ION | | 著者 | Karathanassis, D, Bravo, J, Perisic, O, Pacold, C.M, Williams, R.L. | | 登録日 | 2002-11-07 | | 公開日 | 2002-11-20 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Binding of the Px Domain of P47Phox to Phosphatidylinositol 3.4-Bisphosphate and Phosphatidic Acid is Masked by an Intramolecular Interaction
Embo J., 21, 2002
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2GZB
 | | Bauhinia bauhinioides cruzipain inhibitor (BbCI) | | 分子名称: | IODIDE ION, Kunitz-type proteinase inhibitor BbCI | | 著者 | Hansen, D, Macedo-Ribeiro, S, Navarro, M.V.A.S, Garratt, R.C, Oliva, M.L.V. | | 登録日 | 2006-05-11 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of a novel cysteinless plant Kunitz-type protease inhibitor.
Biochem.Biophys.Res.Commun., 360, 2007
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2K57
 | | Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A. | | 分子名称: | Putative Lipoprotein | | 著者 | Hang, D, Aramini, J.A, Rossi, P, Wang, D, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2008-06-25 | | 公開日 | 2008-09-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR Structure of Putative Lipoprotein from
Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A.
To be Published
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2IWL
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4M3Q
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | | 著者 | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | 登録日 | 2013-08-06 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.718 Å) | | 主引用文献 | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
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1U6D
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