4ALK
 
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 2-phenoxyphenol | | Descriptor: | 5-ETHYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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4ALJ
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol | | Descriptor: | 5-CHLORO-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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4ALL
 | | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P212121) | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRICLOSAN | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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2B3B
 | | Thermus thermophilus Glucose/Galactose Binding Protein With Bound Glucose | | Descriptor: | alpha-D-glucopyranose, beta-D-glucopyranose, glucose-binding protein | | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2005-09-20 | | Release date: | 2006-07-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites.
J.Mol.Biol., 362, 2006
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2B3F
 | | Thermus thermophilus Glucose/Galactose Binding Protein Bound With Galactose | | Descriptor: | beta-D-galactopyranose, glucose-binding protein | | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2005-09-20 | | Release date: | 2006-07-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites.
J.Mol.Biol., 362, 2006
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2MP2
 | | Solution structure of SUMO dimer in complex with SIM2-3 from RNF4 | | Descriptor: | E3 ubiquitin-protein ligase RNF4, Small ubiquitin-related modifier 3 | | Authors: | Xu, Y, Plechanovov, A, Simpson, P, Marchant, J, Leidecker, O, Sebastian, K, Hay, R.T, Matthews, S.J. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4.
Nat Commun, 5, 2014
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4JV6
 | | The crystal structure of PDE6D in complex to inhibitor-1 | | Descriptor: | 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
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4JV8
 | | The crystal structure of PDE6D in complex with rac-S1 | | Descriptor: | (6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
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4JVB
 | | Crystal structure of PDE6D in complex with the inhibitor rac-2 | | Descriptor: | 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
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4JVF
 | | The Crystal structure of PDE6D in complex with the inhibitor (s)-5 | | Descriptor: | (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
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2O8C
 | | human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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2O8B
 | | human MutSalpha (MSH2/MSH6) bound to ADP and a G T mispair | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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2O8E
 | | human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*CP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*GP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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2O8D
 | | human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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2O8F
 | | human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | | Descriptor: | 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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7ZT2
 | | Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU | | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT4
 | | Structure of E8 TCR in complex with human MR1 bound to 6FP | | Descriptor: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Karuppiah, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT9
 | | Structure of E8 TCR in complex in human MR1 bound to 4FBA | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYLBENZOIC ACID, Beta-2-microglobulin, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT5
 | | Structure of E8 TCR in complex in human MR1 bound to 3FSA | | Descriptor: | 3-methanoyl-2-oxidanyl-benzoic acid, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Karuppiah, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT7
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7ZT8
 | | Structure of E8 TCR in complex in human MR1 bound to 3FBA | | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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7ZT3
 | | Structure of E8 TCR in complex in human MR1 K43A | | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, TCR alpha, ... | | Authors: | Karuppiah, V, Srikannathasan, V, Robinson, R.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
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8BP6
 | | Structure of MHC-class I related molecule MR1 with bound M3Ade | | Descriptor: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde, Beta-2-microglobulin,Major histocompatibility complex class I-related gene protein | | Authors: | Berloffa, G, Jakob, R.P, Maier, T. | | Deposit date: | 2022-11-16 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The carbonyl nucleoside adduct M3Ade stabilizes MR1 and activates MR1-restricted self- and tumor-reactive T cells
To Be Published
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2WLP
 | | Sesbania mosaic virus capsid protein dimer mutant (rCP-DEL-N65-W170K) | | Descriptor: | COAT PROTEIN | | Authors: | Anju, P, Subashchandrabose, C, Satheshkumar, P.S, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2009-06-24 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A Single Point Mutation Disrupts the Capsid Assembly in Sesbania Mosaic Virus Resulting in a Stable Isolated Dimer.
Virology, 392, 2009
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4CFI
 | | 3D structure of FliC from Burkholderia pseudomallei | | Descriptor: | FLAGELLIN | | Authors: | Lassaux, P, Peri, C, Ferrer-Navarro, M, Gourlay, L.J, Conchillo-Sole, O, Daura, X, Colombo, G, Bolognesi, M. | | Deposit date: | 2013-11-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Sequence- and Structure-Based Immunoreactive Epitope Discovery for Burkholderia Pseudomallei Flagellin.
Plos Negl Trop Dis, 9, 2015
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