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1XJ3
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bjFixLH in unliganded ferrous form
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
1XJ2
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CO-bound structure of bjFixLH
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
1XJ4
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CO-bound structure of BjFixLH
Descriptor: CARBON MONOXIDE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
2GJ3
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BU of 2gj3 by Molmil
Crystal structure of the FAD-containing PAS domain of the protein NifL from Azotobacter vinelandii.
Descriptor: ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, Nitrogen fixation regulatory protein, ...
Authors:Key, J, Hefti, M, Purcell, E, Moffat, K.
Deposit date:2006-03-30
Release date:2007-03-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure of the redox sensor domain of Azotobacter vinelandii NifL at atomic resolution: signaling, dimerization, and mechanism.
Biochemistry, 46, 2007
1XJ6
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BU of 1xj6 by Molmil
Structure of bjFixLH in the unliganded ferrous form
Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Key, J, Moffat, K.
Deposit date:2004-09-22
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Deoxy and CO-Bound bjFixLH Reveal Details of Ligand Recognition and Signaling
Biochemistry, 44, 2005
2OWH
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BU of 2owh by Molmil
Structure of an early-microsecond photolyzed state of CO-bjFixLH
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Srajer, V, Pahl, R, Moffat, K.
Deposit date:2007-02-16
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction.
Biochemistry, 46, 2007
2OWJ
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Structure of an early-microsecond photolyzed state of CO-bjFixLH, dark state
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Srajer, V, Pahl, R, Moffat, K.
Deposit date:2007-02-16
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction.
Biochemistry, 46, 2007
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
Descriptor: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
Authors:Stuckey, J.
Deposit date:2017-09-29
Release date:2018-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
5UFI
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BU of 5ufi by Molmil
DCN1 bound to DI-591
Descriptor: DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.
Deposit date:2017-01-04
Release date:2017-11-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.
Nat Commun, 8, 2017
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
Descriptor: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
Authors:Stuckey, J.
Deposit date:2021-03-22
Release date:2021-08-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
4MLK
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BU of 4mlk by Molmil
3.05A resolution structure of CT584 from Chlamydia trachomatis
Descriptor: CT584 protein
Authors:Hickey, J, Lovell, S, Kemege, K, Barta, M.L, Battaile, K.P, Hefty, P.S.
Deposit date:2013-09-06
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.051 Å)
Cite:Structure of CT584 from Chlamydia trachomatis refined to 3.05 angstrom resolution.
Acta Crystallogr.,Sect.F, 69, 2013
5KIZ
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BU of 5kiz by Molmil
Solution Structure of a repacked version of HIF-2 alpha PAS-B
Descriptor: Endothelial PAS domain-containing protein 1
Authors:Correa, F, Key, J, Kuhlman, B, Gardner, K.H.
Deposit date:2016-06-17
Release date:2016-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Computational Repacking of HIF-2 alpha Cavity Replaces Water-Based Stabilized Core.
Structure, 24, 2016
4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Authors:Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
Deposit date:2012-08-07
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
4WNQ
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BU of 4wnq by Molmil
THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION
Descriptor: TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-14
Release date:2014-11-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
4WO4
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BU of 4wo4 by Molmil
The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition.
Descriptor: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
2WD1
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BU of 2wd1 by Molmil
Human c-Met Kinase in complex with azaindole inhibitor
Descriptor: 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE, GAMMA-BUTYROLACTONE, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:Porter, J, Lumb, S, Franklin, R.J, Gascon-Simorte, J.M, Calmiano, M, Le Riche, K, Lallemand, B, Keyaerts, J, Edwards, H, Maloney, A, Delgado, J, King, L, Foley, A, Lecomte, F, Reuberson, J, Meier, C, Batchelor, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-Azaindoles as Novel Inhibitors of C- met Kinase.
Bioorg.Med.Chem.Lett., 19, 2009
2RFX
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BU of 2rfx by Molmil
Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J.
Deposit date:2007-10-02
Release date:2008-07-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
2AXG
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BU of 2axg by Molmil
The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation
Descriptor: 10-mer peptide from BZLF1 trans-activator protein, ACETIC ACID, Beta-2-microglobulin, ...
Authors:Tynan, F.E, Elhassen, D, Purcell, A.W, Burrows, J.M, Borg, N.A, Miles, J.J, Williamson, N.A, Green, K.J, Tellam, J, Kjer-Nielsen, L, McCluskey, J, Rossjohn, J, Burrows, S.R.
Deposit date:2005-09-05
Release date:2005-11-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The immunogenicity of a viral cytotoxic T cell epitope is controlled by its MHC-bound conformation
J.Exp.Med., 202, 2005
2AXF
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BU of 2axf by Molmil
The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation
Descriptor: 10-mer peptide from BZLF1 trans-activator protein, ACETIC ACID, Beta-2-microglobulin, ...
Authors:Tynan, F.E, Elhassen, D, Purcell, A.W, Burrows, J.M, Borg, N.A, Miles, J.J, Williamson, N.A, Green, K.J, Tellam, J, Kjer-Nielsen, L, McCluskey, J, Rossjohn, J, Burrows, S.R.
Deposit date:2005-09-05
Release date:2005-11-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The immunogenicity of a viral cytotoxic T cell epitope is controlled by its MHC-bound conformation
J.Exp.Med., 202, 2005
1ZSD
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BU of 1zsd by Molmil
Crystal Structure Of HLA-B*3501 Presenting an 11-Mer EBV Antigen EPLPQGQLTAY
Descriptor: BZLF1 trans-activator protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Miles, J.J, Elhassen, D, Borg, N.A, Silins, S.L, Tynan, F.E, Burrows, J.M, Purcell, A.W, Kjer-Nielsen, L, Rossjohn, J, Burrows, S.R, McCluskey, J.
Deposit date:2005-05-24
Release date:2005-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CTL Recognition of a Bulged Viral Peptide Involves Biased TCR Selection.
J.Immunol., 175, 2005
1ZHK
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BU of 1zhk by Molmil
Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY
Descriptor: Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ...
Authors:Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J.
Deposit date:2005-04-26
Release date:2005-05-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance
J.Biol.Chem., 280, 2005
1ZHL
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BU of 1zhl by Molmil
Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY
Descriptor: Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ...
Authors:Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J.
Deposit date:2005-04-26
Release date:2005-05-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance
J.Biol.Chem., 280, 2005
3BW9
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BU of 3bw9 by Molmil
Crystal Structure of HLA B*3508 in complex with a HCMV 12-mer peptide from the pp65 protein
Descriptor: Beta-2-microglobulin, CPS peptide from 65 kDa lower matrix phosphoprotein, HLA class I histocompatibility antigen, ...
Authors:Wynn, K.K, Marland, Z, Cooper, L, Silins, S.L, Gras, S, Archbold, J.K, Tynan, F.E, Miles, J.J, McCluskey, J, Burrows, S.R, Rossjohn, J, Khanna, R.
Deposit date:2008-01-08
Release date:2008-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Impact of clonal competition for peptide-MHC complexes on the CD8+ T-cell repertoire selection in a persistent viral infection
Blood, 111, 2008
2AK4
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BU of 2ak4 by Molmil
Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide
Descriptor: Beta-2-microglobulin, EBV peptide LPEPLPQGQLTAY, HLA-B35 variant, ...
Authors:Tynan, F.E, Burrows, S.R, Buckle, A.M, Clements, C.S, Borg, N.A, Miles, J.J, Beddoe, T, Whisstock, J.C, Wilce, M.C, Silins, S.L, Burrows, J.M, Kjer-Nielsen, L, Konstenko, L, Purcell, A.W, McCluskey, J, Rossjohn, J.
Deposit date:2005-08-03
Release date:2005-10-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide
Nat.Immunol., 6, 2005
3BWA
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Crystal Structure of HLA B*3508 in complex with a HCMV 8-mer peptide from the pp65 protein
Descriptor: Beta-2-microglobulin, FPT peptide from 65 kDa lower matrix phosphoprotein, HLA class I histocompatibility antigen, ...
Authors:Wynn, K.K, Marland, Z, Cooper, L, Silins, S.L, Gras, S, Archbold, J.K, Tynan, F.E, Miles, J.J, McCluskey, J, Burrows, S.R, Rossjohn, J, Khanna, R.
Deposit date:2008-01-08
Release date:2008-04-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Impact of clonal competition for peptide-MHC complexes on the CD8+ T-cell repertoire selection in a persistent viral infection
Blood, 111, 2008

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