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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
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
7M96
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BU of 7m96 by Molmil
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
7M95
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BU of 7m95 by Molmil
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
7M94
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BU of 7m94 by Molmil
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
7M93
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BU of 7m93 by Molmil
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
7MFI
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BU of 7mfi by Molmil
Bovine sigma-2 receptor bound to cholesterol
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Alon, A, Kruse, A.C.
Deposit date:2021-04-09
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
8FRP
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BU of 8frp by Molmil
Acinetobacter baylyi LptB2FGC
Descriptor: LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ...
Authors:Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
Deposit date:2023-01-07
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
8FRM
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BU of 8frm by Molmil
Acinetobacter baylyi LptB2FG bound to lipopolysaccharide.
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, ...
Authors:Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
Deposit date:2023-01-07
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
8FRO
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BU of 8fro by Molmil
Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-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, Kruse, A.C, Kahne, D.
Deposit date:2023-01-07
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
8FRL
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BU of 8frl by Molmil
Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-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, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
Deposit date:2023-01-07
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
8FRN
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BU of 8frn by Molmil
Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-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, Kruse, A.C, Kahne, D.
Deposit date:2023-01-07
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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
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
4LDO
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BU of 4ldo by Molmil
Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LDE
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BU of 4lde by Molmil
Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LDL
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BU of 4ldl by Molmil
Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
3UON
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BU of 3uon by Molmil
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ...
Authors:Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T.
Deposit date:2011-11-16
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist.
Nature, 482, 2012
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
6OS0
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BU of 6os0 by Molmil
Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to angiotensin II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, CHLORIDE ION, ...
Authors:Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2019-05-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
6OS2
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BU of 6os2 by Molmil
Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2019-05-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
6OS1
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BU of 6os1 by Molmil
Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Nanobody Nb.AT110i1_le, ...
Authors:Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2019-05-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
7TJ4
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BU of 7tj4 by Molmil
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
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

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數據於2024-06-05公開中

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