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7UVJ
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BU of 7uvj by Molmil
Rationally Designed ED1 Epitope-Scaffold Immunogen for SARS-CoV-2
Descriptor: ACETATE ION, Apolipoprotein E, DI(HYDROXYETHYL)ETHER, ...
Authors:Yennawar, N.H, Vishweshwaraiah, Y.L, Dokholyan, N.V.
Deposit date:2022-05-02
Release date:2022-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Adaptation-proof SARS-CoV-2 vaccine design.
Adv Funct Mater, 32, 2022
6CBU
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BU of 6cbu by Molmil
Crystal structure of C4S3: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
Descriptor: Acylphosphatase-1, SULFATE ION
Authors:Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
6CFE
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BU of 6cfe by Molmil
Crystal structure of C2S5: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
Descriptor: Mutant of Apolipoprotein E3 (APO-E3)
Authors:Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
Deposit date:2018-02-14
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
5HZH
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BU of 5hzh by Molmil
Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZI
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BU of 5hzi by Molmil
Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZJ
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BU of 5hzj by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZK
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BU of 5hzk by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5K02
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BU of 5k02 by Molmil
Structure of human SOD1 with T2D mutation
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V.
Deposit date:2016-05-17
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
5TF8
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BU of 5tf8 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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BU of 5tfj by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TF7
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BU of 5tf7 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFF
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BU of 5tff by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TGK
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BU of 5tgk by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-28
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
5TFC
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BU of 5tfc by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFD
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BU of 5tfd by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFB
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BU of 5tfb by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFI
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BU of 5tfi by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFA
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BU of 5tfa by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFG
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BU of 5tfg by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP
Descriptor: 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
4PV1
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BU of 4pv1 by Molmil
Cytochrome B6F structure from M. laminosus with the quinone analog inhibitor stigmatellin
Descriptor: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Hasan, S.S, Yamashita, E, Cramer, W.A.
Deposit date:2014-03-14
Release date:2014-08-20
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Traffic within the cytochrome b6f lipoprotein complex: gating of the quinone portal.
Biophys.J., 107, 2014
4INN
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BU of 4inn by Molmil
Protein HP1028 from the human pathogen Helicobacter pylori belongs to the lipocalin family
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, HP1028
Authors:Barison, N, Cendron, L, Loconte, V, Zanotti, G.
Deposit date:2013-01-05
Release date:2013-07-31
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protein HP1028 from the human pathogen Helicobacter pylori belongs to the lipocalin family.
Acta Crystallogr.,Sect.D, 69, 2013
6M4W
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BU of 6m4w by Molmil
Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
6M4U
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BU of 6m4u by Molmil
Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
6M4V
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BU of 6m4v by Molmil
Crystal structure of MBP fused split FKBP in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
2K0U
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BU of 2k0u by Molmil
High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct
Descriptor: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3')
Authors:Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L.
Deposit date:2008-02-15
Release date:2009-02-03
Last modified:2011-08-31
Method:SOLUTION NMR
Cite:Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011

 

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