6HG9
 
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6R0X
 | | The extracellular domain of G6b-B in complex with Fab fragment and DP12 heparin oligosaccharide. | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Megakaryocyte and platelet inhibitory receptor G6b, antibody fab fragment heavy chain, ... | | Authors: | Ogg, D.J, McMiken, H.J, Howard, T.D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Heparan sulfates are critical regulators of the inhibitory megakaryocyte-platelet receptor G6b-B.
Elife, 8, 2019
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7R53
 | | Crystal structure of human TLR8 in complex with Compound 15 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ... | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2022-02-10 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.121 Å) | | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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7R52
 | | Crystal structure of human TLR8 in complex with Compound 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ... | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2022-02-10 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.943 Å) | | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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7R54
 | | Crystal structure of human TLR8 in complex with Compound 4 | | Descriptor: | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2022-02-10 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.836 Å) | | Cite: | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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7A4Q
 | | The Crystal structure of RO4613269 bound to CK2alpha | | Descriptor: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-08-20 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
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6DKW
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5CGP
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5CFW
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4RA1
 | | PBP AccA from A. tumefaciens C58 in complex with D-Glucose-2-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2014-09-09 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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6F7I
 | | human MALT1(329-728) IN COMPLEX WITH MLT-747 | | Descriptor: | 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Renatus, M, Renatus, M. | | Deposit date: | 2017-12-09 | | Release date: | 2019-01-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
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6DKB
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
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6DKI
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
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6DKG
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
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7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | Descriptor: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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5I9K
 | | The structure of microsomal glutathione transferase 1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTATHIONE, Microsomal glutathione S-transferase 1, ... | | Authors: | Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H. | | Deposit date: | 2016-02-20 | | Release date: | 2017-07-12 | | Last modified: | 2017-08-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.5 Å) | | Cite: | Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017
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5IA9
 | | The structure of microsomal glutathione transferase 1 in complex with Meisenheimer complex | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, Microsomal glutathione S-transferase 1, ... | | Authors: | Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H. | | Deposit date: | 2016-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2017-08-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.5 Å) | | Cite: | Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017
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3U4E
 | | Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain CAP45 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG9 Heavy Chain, PG9 Light Chain, ... | | Authors: | Gorman, J, McLellan, J, Pancera, M, Kwong, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.185 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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4BP3
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ... | | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | | Deposit date: | 2013-05-23 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design
Acta Crystallogr.,Sect.D, 71, 2015
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7SSI
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7SSJ
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6HGU
 | | Crystal Structure of an anti-APP-tag Fab | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ... | | Authors: | Rondeau, J.M, Goepfert, A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
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4KA8
 | | Structure of Organellar OligoPeptidase | | Descriptor: | CHLORIDE ION, GLYCEROL, Oligopeptidase A, ... | | Authors: | Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P. | | Deposit date: | 2013-04-22 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4KA7
 | | Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate | | Descriptor: | CHLORIDE ION, GLYCEROL, Oligopeptidase A, ... | | Authors: | Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P. | | Deposit date: | 2013-04-22 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4CWA
 | | Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE | | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | | Deposit date: | 2014-04-01 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
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