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4X6E
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BU of 4x6e by Molmil
CD1a binary complex with lysophosphatidylcholine
Descriptor: (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4B7U
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BU of 4b7u by Molmil
PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH BICINE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, BICINE, ...
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2012-08-22
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Crystal Structure of Plasmodium Falciparum L- Lactate Dehydrogenase in Complex with a Novel Bicine Ligand
To be Published
7K02
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BU of 7k02 by Molmil
The crystal structure of a BAK dimer activated by detergent
Descriptor: Bcl-2 homologous antagonist/killer
Authors:Birkinshaw, R.W, Czabotar, P.E.
Deposit date:2020-09-02
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of detergent-activated BAK dimers derived from the inert monomer.
Mol.Cell, 81, 2021
2X8L
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BU of 2x8l by Molmil
Plasmodium falciparum lactate dehydrogenase apo structure
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2010-03-10
Release date:2010-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Apo Crystal Structure of Plasmodium Falciparum Lactate Dehydrogenase
To be Published
4X6F
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BU of 4x6f by Molmil
CD1a binary complex with sphingomyelin
Descriptor: (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-02-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4X6C
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BU of 4x6c by Molmil
CD1a ternary complex with lysophosphatidylcholine and BK6 TCR
Descriptor: (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4X6B
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BU of 4x6b by Molmil
BK6 TCR apo structure
Descriptor: TCR alpha, TCR beta
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-07
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4X6D
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BU of 4x6d by Molmil
CD1a ternary complex with endogenous lipids and BK6 TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, OLEIC ACID, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4ZQF
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BU of 4zqf by Molmil
Crystal structure of DOX-P Reductoisomerase fosmidomycin and magnesium
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2015-05-10
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
To Be Published
4ZQG
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BU of 4zqg by Molmil
Crystal structure of the Moraxella catarrhalis DOX-P Reductoisomerase in complex with NADH, fosmidomycin and magnesium
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, ...
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2015-05-10
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
To Be Published
4ZQH
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BU of 4zqh by Molmil
Crystal structure of DOX-P Reductoisomerase in complex with NADPH, fosmidomycin and magnesium
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, ...
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2015-05-10
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
To Be Published
4ZQE
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BU of 4zqe by Molmil
Crystal structure of DOX-P Reductoisomerase in complex with magnesium
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, GLYCEROL, SULFATE ION
Authors:Birkinshaw, R.W, Brady, R.L.
Deposit date:2015-05-10
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
To Be Published
6O0L
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BU of 6o0l by Molmil
crystal structure of BCL-2 G101V mutation with venetoclax
Descriptor: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, CHLORIDE ION, ...
Authors:Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
Deposit date:2019-02-16
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6O0P
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BU of 6o0p by Molmil
crystal structure of BCL-2 G101A mutation with venetoclax
Descriptor: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER
Authors:Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
Deposit date:2019-02-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6O0O
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BU of 6o0o by Molmil
crystal structure of BCL-2 G101V mutation with S55746
Descriptor: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Authors:Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
Deposit date:2019-02-17
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6O0K
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BU of 6o0k by Molmil
crystal structure of BCL-2 with venetoclax
Descriptor: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2, NONAETHYLENE GLYCOL
Authors:Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
Deposit date:2019-02-16
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6O0M
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BU of 6o0m by Molmil
crystal structure of BCL-2 F104L mutation with venetoclax
Descriptor: 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER
Authors:Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
Deposit date:2019-02-16
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
6N64
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BU of 6n64 by Molmil
Crystal structure of mouse SMCHD1 hinge domain
Descriptor: Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1
Authors:Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M.
Deposit date:2018-11-25
Release date:2020-06-17
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
6UX8
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BU of 6ux8 by Molmil
Structure of monobody 33 MLKL N-terminal domain complex
Descriptor: Mixed lineage kinase domain-like protein, Monobody, ZINC ION
Authors:Birkinshaw, R.W, Petrie, E.J, Murphy, J.M.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of MLKL membrane translocation as a checkpoint in necroptotic cell death using Monobodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
4NQC
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BU of 4nqc by Molmil
Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
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, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4NQE
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BU of 4nqe by Molmil
Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4NQD
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BU of 4nqd by Molmil
Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
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, GLYCEROL, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2013-11-25
Release date:2014-04-16
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
4PJH
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BU of 4pjh by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR
Descriptor: Beta-2-microglobulin, GLYCEROL, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJ9
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BU of 4pj9 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRAJ20 TCR
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:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
4PJG
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BU of 4pjg by Molmil
Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR
Descriptor: Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014

 

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