5VNV
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![BU of 5vnv by Molmil](/molmil-images/mine/5vnv) | Crystal structure of Nb.b201 | Descriptor: | FORMIC ACID, Nb.b201, PENTAETHYLENE GLYCOL, ... | Authors: | Kruse, A.C, McMahon, C. | Deposit date: | 2017-05-01 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Yeast surface display platform for rapid discovery of conformationally selective nanobodies. Nat. Struct. Mol. Biol., 25, 2018
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4DAJ
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![BU of 4daj by Molmil](/molmil-images/mine/4daj) | Structure of the M3 Muscarinic Acetylcholine Receptor | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | Authors: | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | Deposit date: | 2012-01-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature, 482, 2012
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4MQS
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![BU of 4mqs by Molmil](/molmil-images/mine/4mqs) | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8 | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | Deposit date: | 2013-09-16 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor. Nature, 504, 2013
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4MQT
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![BU of 4mqt by Molmil](/molmil-images/mine/4mqt) | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | Deposit date: | 2013-09-16 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor. Nature, 504, 2013
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3K55
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![BU of 3k55 by Molmil](/molmil-images/mine/3k55) | Structure of beta hairpin deletion mutant of beta toxin from Staphylococcus aureus | Descriptor: | Beta-hemolysin, CHLORIDE ION, SODIUM ION | Authors: | Kruse, A.C, Huseby, M, Shi, K, Digre, J, Ohlendorf, D.H, Earhart, C.A. | Deposit date: | 2009-10-06 | Release date: | 2011-01-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structure of a mutant beta toxin from Staphylococcus aureus reveals domain swapping and conformational flexibility Acta Crystallogr.,Sect.F, 67, 2011
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3QIW
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![BU of 3qiw by Molmil](/molmil-images/mine/3qiw) | Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | Deposit date: | 2011-01-27 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k). J.Immunol., 186, 2011
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3QIU
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![BU of 3qiu by Molmil](/molmil-images/mine/3qiu) | Crystal structure of the 226 TCR in complex with MCC/I-Ek | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | Deposit date: | 2011-01-27 | Release date: | 2011-04-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k). J.Immunol., 186, 2011
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3HL6
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![BU of 3hl6 by Molmil](/molmil-images/mine/3hl6) | Staphylococcus aureus pathogenicity island 3 ORF9 protein | Descriptor: | CHLORIDE ION, Pathogenicity island protein | Authors: | Kruse, A.C, Huseby, M, Shi, K, Digre, J, Schlievert, P.M, Ohlendorf, D.H, Earhart, C.A. | Deposit date: | 2009-05-26 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional studies of a pathogenicity island protein from Staphylococcus aureus To be Published
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6U66
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![BU of 6u66 by Molmil](/molmil-images/mine/6u66) | Structure of the trimeric globular domain of Adiponectin | Descriptor: | Adiponectin, CALCIUM ION, SODIUM ION | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | Deposit date: | 2019-08-29 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin. J.Biol.Chem., 295, 2020
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6U6N
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![BU of 6u6n by Molmil](/molmil-images/mine/6u6n) | Structure of the trimeric globular domain of Adiponectin mutant - D187A Q188A | Descriptor: | Adiponectin, CHLORIDE ION | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | Deposit date: | 2019-08-30 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin. J.Biol.Chem., 295, 2020
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6U9S
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![BU of 6u9s by Molmil](/molmil-images/mine/6u9s) | Crystal structure of human CD81 large extracellular loop in complex with 5A6 Fab | Descriptor: | 5A6 FAB Heavy Chain, 5A6 FAB Light Chain, CD81 antigen, ... | Authors: | Susa, K.J, Seegar, T.C.M, Blacklow, S.C.B, Kruse, A.C. | Deposit date: | 2019-09-09 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic interaction between CD19 and the tetraspanin CD81 controls B cell co-receptor trafficking. Elife, 9, 2020
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7TMW
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![BU of 7tmw by Molmil](/molmil-images/mine/7tmw) | Cryo-EM structure of the relaxin receptor RXFP1 in complex with heterotrimeric Gs | Descriptor: | Camelid antibody VHH fragment Nb35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Erlandson, S.C, Rawson, S, Kruse, A.C. | Deposit date: | 2022-01-20 | Release date: | 2023-02-15 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The relaxin receptor RXFP1 signals through a mechanism of autoinhibition. Nat.Chem.Biol., 19, 2023
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4JQI
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![BU of 4jqi by Molmil](/molmil-images/mine/4jqi) | Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ... | Authors: | Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J. | Deposit date: | 2013-03-20 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide. Nature, 497, 2013
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7JIC
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![BU of 7jic by Molmil](/molmil-images/mine/7jic) | Structure of human CD19-CD81 co-receptor complex bound to coltuximab Fab fragment | Descriptor: | B-lymphocyte antigen CD19, CD81 antigen, Coltuximab Heavy Chain, ... | Authors: | Susa, K.J, Rawson, S, Kruse, A.C, Blacklow, S.C. | Deposit date: | 2020-07-23 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the B cell co-receptor CD19 bound to the tetraspanin CD81 Science, 371, 2021
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5JQH
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![BU of 5jqh by Molmil](/molmil-images/mine/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
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4QKX
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![BU of 4qkx by Molmil](/molmil-images/mine/4qkx) | Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody | Descriptor: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ... | Authors: | Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P. | Deposit date: | 2014-06-10 | Release date: | 2014-07-23 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Covalent agonists for studying G protein-coupled receptor activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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5IUS
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![BU of 5ius by Molmil](/molmil-images/mine/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
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7TJ4
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![BU of 7tj4 by Molmil](/molmil-images/mine/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
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7T83
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![BU of 7t83 by Molmil](/molmil-images/mine/7t83) | |
7T84
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![BU of 7t84 by Molmil](/molmil-images/mine/7t84) | Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32 G26D T57I variant | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Nemeth, G.R, Skiba, M.A, Kruse, A.C. | Deposit date: | 2021-12-15 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An in silico method to assess antibody fragment polyreactivity. Nat Commun, 13, 2022
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5VNW
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![BU of 5vnw by Molmil](/molmil-images/mine/5vnw) | |
7M95
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![BU of 7m95 by Molmil](/molmil-images/mine/7m95) | Bovine sigma-2 receptor bound to Z1241145220 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M94
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![BU of 7m94 by Molmil](/molmil-images/mine/7m94) | Bovine sigma-2 receptor bound to Roluperidone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M96
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![BU of 7m96 by Molmil](/molmil-images/mine/7m96) | Bovine sigma-2 receptor bound to Z4857158944 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M93
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![BU of 7m93 by Molmil](/molmil-images/mine/7m93) | Bovine sigma-2 receptor bound to PB28 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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