4V3Q
| Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | Descriptor: | CALCIUM ION, GLYCEROL, YIII_M4_AII | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | Deposit date: | 2014-10-20 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects. Acta Crystallogr D Struct Biol, 72, 2016
|
|
4V3O
| Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | Descriptor: | ACETATE ION, CALCIUM ION, YIII_M5_AII | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | Deposit date: | 2014-10-20 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects Acta Crystallogr.,Sect.D, 72, 2016
|
|
8CTG
| Extracellular architecture of an engineered canonical Wnt signaling ternary complex | Descriptor: | Frizzled-8, Low-density lipoprotein receptor-related protein 6, PALMITOLEIC ACID, ... | Authors: | Tsutsumi, N, Jude, K.M, Garcia, K.C. | Deposit date: | 2022-05-14 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8DVN
| Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | Deposit date: | 2022-07-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering. Acs Chem.Biol., 18, 2023
|
|
8DVM
| Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | Deposit date: | 2022-07-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering. Acs Chem.Biol., 18, 2023
|
|
8DVL
| Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | Deposit date: | 2022-07-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering. Acs Chem.Biol., 18, 2023
|
|
6ZHF
| Calcium ATPase-1 from Listeria monocytogenes in complex with BeF | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, MAGNESIUM ION | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
6ZHH
| Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
6ZHG
| Ca2+-ATPase from Listeria Monocytogenes in complex with AlF | Descriptor: | Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
4V3R
| Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | Descriptor: | MAGNESIUM ION, YIII_M5_AII | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | Deposit date: | 2014-10-20 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects Acta Crystallogr.,Sect.D, 72, 2016
|
|
6NZM
| Brutons tyrosine kinase in complex with compound 50. | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J. | Deposit date: | 2019-02-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27, 2019
|
|
7K4M
| Crystal structure of MetAP2 Modified Hemoglobin S | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, M.K, Light, D.R. | Deposit date: | 2020-09-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease. Blood Adv, 5, 2021
|
|
8FFE
| Crystal structure of LRP6 E1E2 domains bound to YW210.09 Fab and engineered XWnt8 peptide | Descriptor: | GLYCEROL, Low-density lipoprotein receptor-related protein 6, SODIUM ION, ... | Authors: | Jude, K.M, Tsutsumi, N, Waghray, D, Garcia, K.C. | Deposit date: | 2022-12-08 | Release date: | 2023-03-08 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7DNG
| |
7DNF
| DARPin 63_B7 in complex with V3-IY (MN) crown mimetic | Descriptor: | DARPin 63_B7, SULFATE ION, V3-IY (MN) crown mimetic peptide | Authors: | Wu, Y, Plueckthun, A. | Deposit date: | 2020-12-09 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
|
|
7DNE
| |
5F1R
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10) | Descriptor: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein | Authors: | Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA. Cell Chem Biol, 23, 2016
|
|
5WBS
| Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | Deposit date: | 2017-06-29 | Release date: | 2018-04-18 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells. Nat. Chem. Biol., 14, 2018
|
|
7N4S
| Bruton's tyrosine kinase in complex with compound 65 | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
7N4R
| Bruton's tyrosine kinase in complex with compound 21 | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
7N4Q
| Bruton's tyrosine kinase in complex with compound 45 | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
6QFS
| Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Charge Interactions in a Highly Charge-depleted Protein J.Am.Chem.Soc., 2021
|
|
3HZI
| Structure of mdt protein | Descriptor: | 5'-D(*DAP*DCP*DTP*DAP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DTP*DAP*DG)-3', ADENOSINE-5'-TRIPHOSPHATE, HTH-type transcriptional regulator hipB, ... | Authors: | Schumacher, M.A. | Deposit date: | 2009-06-23 | Release date: | 2009-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB. Science, 323, 2009
|
|
5K98
| Structure of HipA-HipB-O2-O3 complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*G)-3'), ... | Authors: | Schumacher, M. | Deposit date: | 2016-05-31 | Release date: | 2016-06-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance. Nature, 524, 2015
|
|
4YG1
| HipB-O1-O2 complex/P21212 crystal form | Descriptor: | Antitoxin HipB, DNA (48-MER) | Authors: | Schumacher, M.A. | Deposit date: | 2015-02-25 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance. Nature, 524, 2015
|
|