6ZM0
 
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7M17
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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7M19
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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7MBX
 | | Human Cholecystokinin 1 receptor (CCK1R) Gs complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-26 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (1.95 Å) | | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
Plos Biol., 19, 2021
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7MBY
 | | Human Cholecystokinin 1 receptor (CCK1R) Gq chimera (mGsqi) complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ... | | Authors: | Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-26 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
Plos Biol., 19, 2021
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4Q0F
 | | Crystal Structure of Thermotoga maritima FtsH Periplasmic domain | | Descriptor: | ATP-dependent zinc metalloprotease FtsH | | Authors: | An, J.Y, Sharif, H, Barrera, F.N, Karabadzhak, A, Kang, G.B, Park, K.J, Sakkiah, S, Lee, K.W, Lee, S, Engelman, D.M, Wang, J, Eom, S.H. | | Deposit date: | 2014-04-01 | | Release date: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Structures of periplasmic and transmembrane domains of FtsH suggest a reverse translocon mechanism for protein extraction from membrane
To be Published
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4Q6X
 | | Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution | | Descriptor: | MAGNESIUM ION, Phospholipase D StSicTox-betaIC1 | | Authors: | Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H. | | Deposit date: | 2014-04-23 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders.
J.Biol.Chem., 290, 2015
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4Q9S
 | | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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4Q9Z
 | | Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-02 | | Release date: | 2014-07-02 | | Last modified: | 2015-01-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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7ATA
 | | Nudaurelia capensis omega virus procapsid: virus-like particles expressed in Nicotiana benthamiana | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (6.63 Å) | | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
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7ANM
 | | Nudaurelia capensis omega virus capsid: virus-like particles expressed in Nicotiana benthamiana | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2020-10-12 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
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4QTP
 | | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ... | | Authors: | Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-07-08 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis
TO BE PUBLISHED
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4R0R
 | | Ebolavirus GP Prehairpin Intermediate Mimic | | Descriptor: | eboIZN21 | | Authors: | Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
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7BT6
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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7BTB
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7BNT
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp. | | Descriptor: | 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp. | | Authors: | Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S. | | Deposit date: | 2021-01-22 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
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7BE6
 | | Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide, Epithelial discoidin domain-containing receptor 1, ... | | Authors: | Pinkas, D.M, Bufton, J.C, Roehm, S, Joerger, A.C, Knapp, S, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87081933 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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4R0X
 | | Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G. | | Deposit date: | 2014-08-02 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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7BM8
 | | Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed with CTP-gamma-S | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Chromosome-partitioning protein ParB, MAGNESIUM ION | | Authors: | Jalal, A.S, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2021-01-19 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
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4TMD
 | | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis | | Descriptor: | IODIDE ION, Uncharacterized protein | | Authors: | Horanyi, P.S, Dranow, D.M, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-06-01 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis
To Be Published
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4S0V
 | | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant | | Descriptor: | Human Orexin receptor type 2 fusion protein to P. abysii Glycogen Synthase, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | | Authors: | Yin, J, Kolb, P, Mobarec, J.C, Rosenbaum, D.M. | | Deposit date: | 2015-01-06 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.
Nature, 519, 2015
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4S0T
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