4FJZ
| Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FJY
| Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FLH
| Crystal structure of human PI3K-gamma in complex with AMG511 | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-14 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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4FHJ
| Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2 | Descriptor: | 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | Deposit date: | 2012-06-06 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4FHK
| Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | Descriptor: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | Deposit date: | 2012-06-06 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3UTF
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3UTG
| Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | Deposit date: | 2011-11-25 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus. J.Biol.Chem., 287, 2012
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5D9G
| Crystal structure of TIPRL, TOR signaling pathway regulator-like, in complex with peptide | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | Authors: | Scorsato, V, Sandy, J, Brandao-Neto, J, Pereira, H.M, Smetana, J.H.C, Aparicio, R. | Deposit date: | 2015-08-18 | Release date: | 2016-08-10 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the human Tip41 orthologue, TIPRL, reveals a novel fold and a binding site for the PP2Ac C-terminus. Sci Rep, 6, 2016
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9FSE
| Human ROR2 cysteine-rich domain (CRD) and Kringle domain | Descriptor: | SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2 | Authors: | Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling. Elife, 13, 2024
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6D96
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6QN0
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6QNL
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8RHS
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5D1V
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7P4A
| Non-canonical Staphylococcus aureus pathogenicity island repression. | Descriptor: | Sri, Stl | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R. | Deposit date: | 2021-07-10 | Release date: | 2022-07-27 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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3J6U
| Cryo-EM structure of Dengue virus serotype 3 in complex with human antibody 5J7 Fab | Descriptor: | Fab 5J7 heavy chain, Fab 5J7 light chain, envelope protein, ... | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | Deposit date: | 2014-03-26 | Release date: | 2015-03-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins. Nat Commun, 6, 2015
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3J6T
| Cryo-EM structure of Dengue virus serotype 3 at 37 degrees C | Descriptor: | envelope protein, membrane protein | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | Deposit date: | 2014-03-25 | Release date: | 2015-03-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins. Nat Commun, 6, 2015
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3J6S
| Cryo-EM structure of Dengue virus serotype 3 at 28 degrees C | Descriptor: | envelope protein, membrane protein | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | Deposit date: | 2014-03-24 | Release date: | 2015-03-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins. Nat Commun, 6, 2015
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6QNG
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7QUI
| Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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7QU6
| Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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2G82
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5KAE
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2G94
| Crystal structure of beta-secretase bound to a potent and highly selective inhibitor. | Descriptor: | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | Authors: | Hong, L, Ghosh, A, Tang, J. | Deposit date: | 2006-03-05 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. J.Am.Chem.Soc., 128, 2006
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6K62
| Crystal structure of Xanthomonas PcrK | Descriptor: | Histidine kinase | Authors: | Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P. | Deposit date: | 2019-05-31 | Release date: | 2019-09-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4. J.Struct.Biol., 208, 2019
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