3P5O
 
 | | Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2010-10-09 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Suppression of inflammation by a synthetic histone mimic
Nature, 468, 2010
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2NT0
 | | Acid-beta-glucosidase low pH, glycerol bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ... | | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
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3BQ7
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2RKI
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI | | Descriptor: | 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, CHLORIDE ION, GLYCEROL, ... | | Authors: | Lansdon, E.B, Kirschberg, T.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Bioorg.Med.Chem.Lett., 18, 2008
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2M38
 | | PTB domain of AIDA1 | | Descriptor: | Ankyrin repeat and sterile alpha motif domain-containing protein 1B | | Authors: | Donaldson, L. | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and peptide binding of the PTB domain from the AIDA1 postsynaptic signaling scaffolding protein.
Plos One, 8, 2013
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7K6O
 | | Crystal structure of PI3Kalpha inhibitor 10-5429 | | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K71
 | | Crystal structure of PI3Kalpha inhibitor 4-0686 | | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6N
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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2GW2
 | | Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G | | Descriptor: | Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION | | Authors: | Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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7KNA
 | | Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5 | | Authors: | Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
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2PZI
 | | Crystal Structure of Protein kinase PknG from Mycobacterium tuberculosis in Complex with Tetrahydrobenzothiophene AX20017 | | Descriptor: | 2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Honnappa, S, Steinmetz, M.O. | | Deposit date: | 2007-05-18 | | Release date: | 2007-07-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the specific inhibition of protein kinase G, a virulence factor of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2RCI
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2R99
 | | Crystal structure of cyclophilin ABH-like domain of human peptidylprolyl isomerase E isoform 1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase E | | Authors: | Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-12 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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1QA0
 | | BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX | | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN | | Authors: | Whitlow, M. | | Deposit date: | 1999-04-09 | | Release date: | 2000-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
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2NSX
 | | Structure of acid-beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ... | | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
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2K8D
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2NT1
 | | Structure of acid-beta-glucosidase at neutral pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION | | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-11-06 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
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4NC4
 | | Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K | | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | | Authors: | Yang, X, Zeng, X, Zhao, K.-H, Ren, Z. | | Deposit date: | 2013-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
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1ZKC
 | | Crystal Structure of the cyclophiln_RING domain of human peptidylprolyl isomerase (cyclophilin)-like 2 isoform b | | Descriptor: | BETA-MERCAPTOETHANOL, Peptidyl-prolyl cis-trans isomerase like 2 | | Authors: | Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-05-02 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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4NBM
 | | Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K | | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | | Authors: | Yang, X, Zeng, X, Zhao, K.-H, Ren, Z. | | Deposit date: | 2013-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
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4NCC
 | | Neutralizing antibody to murine norovirus | | Descriptor: | Fab fragment heavy, Fab fragment light | | Authors: | Smith, T, Li, M. | | Deposit date: | 2013-10-24 | | Release date: | 2014-02-19 | | Last modified: | 2014-04-09 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
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1ZZV
 | | Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter FecA from Escherichia coli. | | Descriptor: | Iron(III) dicitrate transport protein fecA | | Authors: | Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J. | | Deposit date: | 2005-06-14 | | Release date: | 2006-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
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2ESL
 | | Human Cyclophilin C in Complex with Cyclosporin A | | Descriptor: | CALCIUM ION, CYCLOSPORIN A, Peptidyl-prolyl cis-trans isomerase C, ... | | Authors: | Walker, J.R, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-26 | | Release date: | 2005-12-13 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
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2A02
 | | Solution NMR Structure of the Periplasmic Signaling Domain of the Outer Membrane Iron Transporter PupA from Pseudomonas putida. | | Descriptor: | Ferric-pseudobactin 358 receptor | | Authors: | Ferguson, A.D, Amezcua, C.A, Chelliah, Y, Rosen, M.K, Deisenhofer, J. | | Deposit date: | 2005-06-15 | | Release date: | 2006-09-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Signal transduction pathway of TonB-dependent transporters.
Proc.Natl.Acad.Sci.Usa, 2, 2006
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