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4DAJ
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BU of 4daj by Molmil
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
4MQS
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BU of 4mqs by Molmil
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
4MQT
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BU of 4mqt by Molmil
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
3HL6
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BU of 3hl6 by Molmil
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
3K55
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BU of 3k55 by Molmil
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:2011-07-13
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
5VNV
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BU of 5vnv by Molmil
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
3QIW
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BU of 3qiw by Molmil
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
3QIU
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BU of 3qiu by Molmil
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
7JIC
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BU of 7jic by Molmil
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
4QKX
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BU of 4qkx by Molmil
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
8UFH
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BU of 8ufh by Molmil
Acinetobacter baylyi LptB2FG bound to Acinetobacter baylyi lipopolysaccharide and a macrocyclic peptide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ...
Authors:Pahil, K.S, Gilman, M.S.A, Baidin, V, Kruse, A.C, Kahne, D.
Deposit date:2023-10-04
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
8UFG
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BU of 8ufg by Molmil
Acinetobacter baylyi LptB2FG bound to Acinetobacter baylyi lipopolysaccharide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ...
Authors:Pahil, K.S, Gilman, M.S.A, Baidin, V, Kruse, A.C, Kahne, D.
Deposit date:2023-10-04
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
4JQI
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BU of 4jqi by Molmil
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
5TCX
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BU of 5tcx by Molmil
Crystal structure of human tetraspanin CD81
Descriptor: CD81 antigen, CHOLESTEROL
Authors:Zimmerman, B, McMillan, B.J, Seegar, T.C.M, Kruse, A.C, Blacklow, S.C.
Deposit date:2016-09-16
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:Crystal Structure of a Full-Length Human Tetraspanin Reveals a Cholesterol-Binding Pocket.
Cell, 167, 2016
5VNW
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BU of 5vnw by Molmil
Crystal structure of Nb.b201 bound to human serum albumin
Descriptor: GLYCEROL, LAURIC ACID, Nb.b201, ...
Authors:McMahon, C, Kruse, A.C.
Deposit date:2017-05-01
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Yeast surface display platform for rapid discovery of conformationally selective nanobodies.
Nat. Struct. Mol. Biol., 25, 2018
6U66
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BU of 6u66 by Molmil
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
6U6N
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BU of 6u6n by Molmil
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
6U9S
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BU of 6u9s by Molmil
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
6PL5
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BU of 6pl5 by Molmil
Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex
Descriptor: Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, Unknown peptide
Authors:Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C.
Deposit date:2019-06-30
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex.
Nat Microbiol, 5, 2020
6PL6
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BU of 6pl6 by Molmil
Structural coordination of polymerization and crosslinking by a peptidoglycan synthase complex
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 2/cell division protein FtsI, Peptidoglycan glycosyltransferase RodA, ...
Authors:Sjodt, M, Rohs, P.D.A, Erlandson, S.C, Zheng, S, Rudner, D.Z, Bernhardt, T.G, Kruse, A.C.
Deposit date:2019-06-30
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural coordination of polymerization and crosslinking by a SEDS-bPBP peptidoglycan synthase complex.
Nat Microbiol, 5, 2020
6BAR
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BU of 6bar by Molmil
Crystal structure of Thermus thermophilus Rod shape determining protein RodA (Q5SIX3_THET8)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Rod shape determining protein RodA
Authors:Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C.
Deposit date:2017-10-15
Release date:2018-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
6BAS
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BU of 6bas by Molmil
Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8)
Descriptor: CHLORIDE ION, Peptidoglycan glycosyltransferase RodA
Authors:Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C.
Deposit date:2017-10-15
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
7TMW
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BU of 7tmw by Molmil
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
4DKL
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BU of 4dkl by Molmil
Crystal structure of the mu-opioid receptor bound to a morphinan antagonist
Descriptor: CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ...
Authors:Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S.
Deposit date:2012-02-03
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist.
Nature, 485, 2012
4EJ4
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BU of 4ej4 by Molmil
Structure of the delta opioid receptor bound to naltrindole
Descriptor: (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, Delta-type opioid receptor, Lysozyme chimera
Authors:Granier, S, Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Weis, W.I, Kobilka, B.K.
Deposit date:2012-04-06
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of the delta opioid receptor bound to naltrindole
Nature, 485, 2012

 

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