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2XFC
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BU of 2xfc by Molmil
CHIKUNGUNYA E1 E2 ENVELOPE GLYCOPROTEINS FITTED IN SEMLIKI FOREST VIRUS cryo-EM MAP
Descriptor: E1 ENVELOPE GLYCOPROTEIN, E2 ENVELOPE GLYCOPROTEIN
Authors:Voss, J.E, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-11-24
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Glycoprotein Organization of Chikungunya Virus Particles Revealed by X-Ray Crystallography
Nature, 468, 2010
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
Authors:Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
Deposit date:2019-03-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
8AIT
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BU of 8ait by Molmil
Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis
Descriptor: Cutinase, SULFATE ION
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIS
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BU of 8ais by Molmil
Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis
Descriptor: ACETATE ION, Lipase 1
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIR
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BU of 8air by Molmil
Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus
Descriptor: ACETATE ION, RgCutII
Authors:Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
Deposit date:2022-07-27
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6AZ2
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BU of 6az2 by Molmil
Crystal structure of Asf1-Fab 12E complex
Descriptor: Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1
Authors:Bailey, L.J, Kossiakoff, A.A.
Deposit date:2017-09-09
Release date:2018-01-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.477 Å)
Cite:Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
6AYZ
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BU of 6ayz by Molmil
Crystal structure of Asf1-Fab 12E complex
Descriptor: Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1
Authors:Bailey, L.J, Kossiakoff, A.A.
Deposit date:2017-09-08
Release date:2018-01-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
5CJO
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BU of 5cjo by Molmil
Crystal Structure Analysis of Elbow-Engineered-Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FAB Heavy chain with engineered elbow, FAB light chain, ...
Authors:liang, w.g, bailey, L, tang, w.j.
Deposit date:2015-07-14
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.287 Å)
Cite:Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 2017
4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Descriptor: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2012-04-13
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
7BU7
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BU of 7bu7 by Molmil
Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BVQ
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BU of 7bvq by Molmil
Structure of human beta1 adrenergic receptor bound to carazolol
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BU6
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BU of 7bu6 by Molmil
Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BTS
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BU of 7bts by Molmil
Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-02
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7XKA
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BU of 7xka by Molmil
Structure of human beta2 adrenergic receptor bound to constrained epinephrine
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P.
Deposit date:2022-04-19
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
7XK9
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BU of 7xk9 by Molmil
Structure of human beta2 adrenergic receptor bound to constrained isoproterenol
Descriptor: (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P.
Deposit date:2022-04-19
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
Descriptor: Sin3 histone deacetylase corepressor complex component SDS3
Authors:Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
Deposit date:2015-05-08
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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