3MJW
 
 | | PI3 Kinase gamma with a benzofuranone inhibitor | | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Bard, J, Svenson, K. | | Deposit date: | 2010-04-13 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3DOY
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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7KL9
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5GUT
 | | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Chen, S.J, Ye, F. | | Deposit date: | 2016-08-31 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
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5GUV
 | | The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | | Authors: | Ye, F, Chen, S.J. | | Deposit date: | 2016-08-31 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.078 Å) | | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
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5H21
 | | Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
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4ESS
 | | Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187 | | Descriptor: | OR187 | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9971 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4ETK
 | | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | | Descriptor: | De novo designed serine hydrolase, SODIUM ION | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4ETJ
 | | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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1IIL
 | | CRYSTAL STRUCTURE OF PRO253ARG APERT MUTANT FGF RECEPTOR 2 (FGFR2) IN COMPLEX WITH FGF2 | | Descriptor: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, HEPARIN-BINDING GROWTH FACTOR 2 | | Authors: | Ibrahimi, O.A, Eliseenkova, A.V, Plotnikov, A.N, Ornitz, D.M, Mohammadi, M. | | Deposit date: | 2001-04-23 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for fibroblast growth factor receptor 2 activation in Apert syndrome.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1II4
 | | CRYSTAL STRUCTURE OF SER252TRP APERT MUTANT FGF RECEPTOR 2 (FGFR2) IN COMPLEX WITH FGF2 | | Descriptor: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, HEPARIN-BINDING GROWTH FACTOR 2 | | Authors: | Ibrahimi, O.A, Eliseenkova, A.V, Plotnikov, A.N, Ornitz, D.M, Mohammadi, M. | | Deposit date: | 2001-04-20 | | Release date: | 2001-05-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for fibroblast growth factor receptor 2 activation in Apert syndrome.
Proc.Natl.Acad.Sci.USA, 98, 2001
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8IV5
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV8
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IVA
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV4
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2023-03-26 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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6IHT
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6IHL
 | | Crystal structure of bacterial serine phosphatase | | Descriptor: | MAGNESIUM ION, Phosphorylated protein phosphatase | | Authors: | Yang, C.-G, yang, T. | | Deposit date: | 2018-09-30 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
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6IHW
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6IHS
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6IHR
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6IHU
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6IHV
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8ECY
 | | cryoEM structure of bovine bestrophin-2 and glutamine synthetase complex | | Descriptor: | Bestrophin, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Owji, A.P, Kittredge, A.K, Yang, T. | | Deposit date: | 2022-09-02 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | Bestrophin-2 and glutamine synthetase form a complex for glutamate release.
Nature, 611, 2022
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4JLL
 | | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-03-12 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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4K1I
 | | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2013-04-05 | | Release date: | 2013-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
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