5HK1
| Human sigma-1 receptor bound to PD144418 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole, SULFATE ION, ... | Authors: | Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5051 Å) | Cite: | Crystal structure of the human sigma 1 receptor. Nature, 532, 2016
|
|
5HK2
| Human sigma-1 receptor bound to 4-IBP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-(1-benzylpiperidin-4-yl)-4-iodobenzamide, SULFATE ION, ... | Authors: | Schmidt, H.R, Zheng, S, Gurpinar, E.G, Koehl, A, Manglik, A, Kruse, A.C. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the human sigma 1 receptor. Nature, 532, 2016
|
|
5IUS
| Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant | Descriptor: | CHLORIDE ION, Programmed cell death 1 ligand 1, Programmed cell death protein 1 | Authors: | Pascolutti, R, Sun, X, Kao, J, Maute, R, Ring, A.M, Bowman, G.R, Kruse, A.C. | Deposit date: | 2016-03-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant. Structure, 24, 2016
|
|
5JQH
| Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | Deposit date: | 2016-05-05 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation. Nature, 535, 2016
|
|
7TJ4
| Structure of the S. aureus amidase LytH and activator ActH extracellular domains | Descriptor: | ActH, LytH, ZINC ION | Authors: | Page, J.E, Skiba, M.A, Kruse, A.C, Walker, S. | Deposit date: | 2022-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Metal cofactor stabilization by a partner protein is a widespread strategy employed for amidase activation. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
3HK1
| Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins | Descriptor: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte | Authors: | Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A. | Deposit date: | 2009-05-22 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J.Med.Chem., 52, 2009
|
|
3I46
| Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound calcium ions | Descriptor: | Beta-hemolysin, CALCIUM ION, CHLORIDE ION | Authors: | Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H. | Deposit date: | 2009-07-01 | Release date: | 2010-07-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence To be Published
|
|
3I41
| |
3I48
| Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound magnesium ions | Descriptor: | Beta-hemolysin, MAGNESIUM ION, PHOSPHATE ION | Authors: | Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H. | Deposit date: | 2009-07-01 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence to be published, 2009
|
|
3I5V
| |
3JS1
| Crystal structure of adipocyte fatty acid binding protein covalently modified with 4-hydroxy-2-nonenal | Descriptor: | Adipocyte fatty acid-binding protein, PHOSPHATE ION | Authors: | Hellberg, K, Grimsrud, P.A, Kruse, A.C, Banaszak, L.J, Ohlendorf, D.H, Bernlohr, D.A. | Deposit date: | 2009-09-09 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal. Protein Sci., 19, 2010
|
|
3JSQ
| Crystal structure of adipocyte fatty acid binding protein non-covalently modified with 4-hydroxy-2-nonenal | Descriptor: | (2E,4R)-4-HYDROXYNON-2-ENAL, Adipocyte fatty acid-binding protein, CHLORIDE ION, ... | Authors: | Hellberg, K, Grimsrud, P.A, Kruse, A.C, Banaszak, L.J, Ohlendorf, D.H, Bernlohr, D.A. | Deposit date: | 2009-09-10 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal. Protein Sci., 19, 2010
|
|
6D35
| Crystal structure of Xenopus Smoothened in complex with cholesterol | Descriptor: | CHOLESTEROL, Smoothened,Soluble cytochrome b562,Smoothened | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | Deposit date: | 2018-04-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling. Cell, 174, 2018
|
|
6D32
| Crystal structure of Xenopus Smoothened in complex with cyclopamine | Descriptor: | Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | Deposit date: | 2018-04-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.751 Å) | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling. Cell, 174, 2018
|
|
6DK1
| Human sigma-1 receptor bound to (+)-pentazocine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ... | Authors: | Schmidt, H.R, Kruse, A.C. | Deposit date: | 2018-05-28 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structural basis for sigma1receptor ligand recognition. Nat. Struct. Mol. Biol., 25, 2018
|
|
6DO1
| Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ... | Authors: | Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2018-06-08 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody. Cell, 176, 2019
|
|
6DK0
| Human sigma-1 receptor bound to NE-100 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ... | Authors: | Schmidt, H.R, Kruse, A.C. | Deposit date: | 2018-05-28 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for sigma1receptor ligand recognition. Nat. Struct. Mol. Biol., 25, 2018
|
|
6DJZ
| Human sigma-1 receptor bound to haloperidol | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, GLYCEROL, ... | Authors: | Schmidt, H.R, Kruse, A.C. | Deposit date: | 2018-05-28 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.084 Å) | Cite: | Structural basis for sigma1receptor ligand recognition. Nat. Struct. Mol. Biol., 25, 2018
|
|
3TJH
| 42F3-p3A1/H2-Ld complex | Descriptor: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | Authors: | Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-24 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
|
|
6BDZ
| ADAM10 Extracellular Domain Bound by the 11G2 Fab | Descriptor: | 11G2 Fab Heavy Chain, 11G2 Fab Light Chain, CALCIUM ION, ... | Authors: | Seegar, T.C.M. | Deposit date: | 2017-10-24 | Release date: | 2017-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Regulated Proteolysis by the alpha-Secretase ADAM10. Cell, 171, 2017
|
|
6BE6
| ADAM10 Extracellular Domain | Descriptor: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 10, SULFATE ION, ... | Authors: | Seegar, T.C.M. | Deposit date: | 2017-10-24 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Regulated Proteolysis by the alpha-Secretase ADAM10. Cell, 171, 2017
|
|
3TFK
| 42F3-p4B10/H2-Ld | Descriptor: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
|
|
3TF7
| 42F3 QL9/H2-Ld complex | Descriptor: | 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
|
|
3TPU
| 42F3 p5E8/H2-Ld complex | Descriptor: | 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
|
|
4PNJ
| Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M. | Deposit date: | 2014-05-23 | Release date: | 2014-11-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Goniometer-based femtosecond crystallography with X-ray free electron lasers. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|