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5D5M
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BU of 5d5m by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
Deposit date:2015-08-11
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5D7L
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BU of 5d7l by Molmil
Structure of human MR1-5-OP-RU in complex with human MAV36 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, MAV36 TCR Alpha Chain, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
5D7K
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BU of 5d7k by Molmil
Structure of MR1-reactive MAV36 TCR
Descriptor: MAV36 TCR Alpha Chain, MAV36 TCR Beta Chain, SULFATE ION
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2015-08-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition.
Immunity, 44, 2016
6XS7
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BU of 6xs7 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2
Descriptor: 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XSA
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BU of 6xsa by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2
Descriptor: 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS5
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BU of 6xs5 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1
Descriptor: 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS8
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BU of 6xs8 by Molmil
Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3
Descriptor: 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95009851 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS9
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BU of 6xs9 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XQQ
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BU of 6xqq by Molmil
Structure of human D462-E4 TCR
Descriptor: GLYCEROL, TRAV12-2 alpha chain, TRBV29-1
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
6XQP
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BU of 6xqp by Molmil
Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-07-10
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
7L9D
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BU of 7l9d by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide ALA-PHE-PRO-ILE-PRO-ITZ
Authors:Hoang, H.N.
Deposit date:2021-01-03
Release date:2021-09-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021
7L96
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BU of 7l96 by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide LEU-DLE-LEU-LEU-DPR-N9K
Authors:Hoang, H.N.
Deposit date:2021-01-02
Release date:2023-08-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021
7L98
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BU of 7l98 by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide ALA-MEA-PRO-ILE-PRO-ITZ
Authors:Hoang, H.N.
Deposit date:2021-01-03
Release date:2021-09-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021
3E90
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BU of 3e90 by Molmil
West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H
Descriptor: NS2B cofactor, NS3 protease, N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide
Authors:Martin, J.L, Robin, G.
Deposit date:2008-08-21
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of West Nile virus NS3 protease: ligand stabilization of the catalytic conformation
J.Mol.Biol., 385, 2009
6PUK
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BU of 6puk by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72
Descriptor: 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUF
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BU of 6puf by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUM
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BU of 6pum by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU
Descriptor: 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUL
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BU of 6pul by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
Descriptor: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUE
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BU of 6pue by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
Descriptor: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUI
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BU of 6pui by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
Descriptor: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUC
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BU of 6puc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUH
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BU of 6puh by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less
Descriptor: 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUD
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BU of 6pud by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U
Descriptor: 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUJ
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BU of 6puj by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U
Descriptor: 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUG
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BU of 6pug by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U
Descriptor: 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020

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