4WNM
| SYK catalytic domain in complex with a potent triazolopyridine inhibitor | Descriptor: | N~3~-(tetrahydro-2H-pyran-4-yl)-N~6~-[5-(tetrahydro-2H-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-indazole-3,6-diamine, SULFATE ION, Tyrosine-protein kinase SYK | Authors: | Jackson, P.J. | Deposit date: | 2014-10-13 | Release date: | 2016-01-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation. Plos One, 11, 2016
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1MR0
| SOLUTION NMR STRUCTURE OF AGRP(87-120; C105A) | Descriptor: | AGOUTI RELATED PROTEIN | Authors: | Jackson, P.J, Mcnulty, J.C, Yang, Y.K, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Millhauser, G.M. | Deposit date: | 2002-09-17 | Release date: | 2002-10-02 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Design, pharmacology, and NMR structure of a minimized cystine knot with agouti-related protein activity. Biochemistry, 41, 2002
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4V9G
| RC-LH1-PufX dimer complex from Rhodobacter sphaeroides | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | Authors: | Qian, P, Papiz, M.Z, Jackson, P.J, Brindley, A.A, Ng, I.W, Olsen, J.D, Dickman, M.J, Bullough, P.A, Hunter, C.N. | Deposit date: | 2013-02-21 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (7.78 Å) | Cite: | Three-Dimensional Structure of the Rhodobacter sphaeroides RC-LH1-PufX Complex: Dimerization and Quinone Channels Promoted by PufX. Biochemistry, 52, 2013
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1B3C
| SOLUTION STRUCTURE OF A BETA-NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING | Descriptor: | PROTEIN (NEUROTOXIN CSE-I) | Authors: | Jablonsky, M.J, Jackson, P.L, Trent, J.O, Watt, D.D, Krishna, N.R. | Deposit date: | 1998-12-08 | Release date: | 1998-12-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a beta-neurotoxin from the New World scorpion Centruroides sculpturatus Ewing. Biochem.Biophys.Res.Commun., 254, 1999
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8ASJ
| Four subunit cytochrome b-c1 complex from Rhodobacter sphaeroides in native nanodiscs - focussed refinement in the b-c conformation | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Cytochrome b, Cytochrome b-c1 subunit IV, ... | Authors: | Swainsbury, D.J.K, Hawkings, F.R, Martin, E.C, Musial, S, Salisbury, J.H, Jackson, P.J, Farmer, D.A, Johnson, M.P, Siebert, C.A, Hitchcock, A, Hunter, C.N. | Deposit date: | 2022-08-19 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structure of the four-subunit Rhodobacter sphaeroides cytochrome bc 1 complex in styrene maleic acid nanodiscs. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ASI
| Four subunit cytochrome b-c1 complex from Rhodobacter sphaeroides in native nanodiscs - consensus refinement in the b-b conformation | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Cytochrome b, Cytochrome b-c1 subunit IV, ... | Authors: | Swainsbury, D.J.K, Hawkings, F.R, Martin, E.C, Musial, S, Salisbury, J.H, Jackson, P.J, Farmer, D.A, Johnson, M.P, Siebert, C.A, Hitchcock, A, Hunter, C.N. | Deposit date: | 2022-08-19 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of the four-subunit Rhodobacter sphaeroides cytochrome bc 1 complex in styrene maleic acid nanodiscs. Proc.Natl.Acad.Sci.USA, 120, 2023
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5MU8
| HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | Descriptor: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | Authors: | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction. J. Med. Chem., 60, 2017
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3V04
| Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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3V01
| Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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1Y7J
| NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y) | Descriptor: | Agouti Signaling Protein | Authors: | McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L. | Deposit date: | 2004-12-08 | Release date: | 2005-02-15 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Structures of the agouti signaling protein. J.Mol.Biol., 346, 2005
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1Y7K
| NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y) | Descriptor: | Agouti Signaling Protein | Authors: | McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L. | Deposit date: | 2004-12-08 | Release date: | 2005-02-15 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Structures of the agouti signaling protein. J.Mol.Biol., 346, 2005
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4X9X
| Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family | Descriptor: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | Authors: | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | Deposit date: | 2014-12-11 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family. J.Biol.Chem., 291, 2016
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1Y8Y
| Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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1Y91
| Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | Deposit date: | 2004-12-14 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2. Bioorg.Med.Chem.Lett., 15, 2005
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1I6F
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1I6G
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4OTI
| Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTG
| Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | Descriptor: | Lestaurtinib, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTH
| Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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4OTD
| Crystal Structure of PRK1 Catalytic Domain | Descriptor: | Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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2B3C
| SOLUTION STRUCTURE OF A BETA-NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING | Descriptor: | PROTEIN (NEUROTOXIN CSE-I) | Authors: | Jablonsky, M.J, Jackson, P.L, Trent, J.O, Watt, D.D, Krishna, N.R. | Deposit date: | 1998-12-09 | Release date: | 1998-12-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a beta-neurotoxin from the New World scorpion Centruroides sculpturatus Ewing. Biochem.Biophys.Res.Commun., 254, 1999
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4DST
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSO
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSU
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSN
| Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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