4JIN
 
 | | X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086) | | Descriptor: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1 | | Authors: | Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N. | | Deposit date: | 2013-03-06 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Development of novel molecular probes of the Rio1 atypical protein kinase.
Biochim.Biophys.Acta, 1834, 2013
|
|
7K0Z
 | | Marsupial T cell receptor Spl_157 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-09-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
|
|
7K0X
 | | Marsupial T cell receptor Spl_145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, T cell receptor mu chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-09-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
|
|
7L15
 | | Marsupial T cell receptor Spl_118 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, ... | | Authors: | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage.
Science, 371, 2021
|
|
7KP1
 | | CD1a-42:2 SM binary complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, T-cell surface glycoprotein CD1a, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
|
|
7KP0
 | | CD1a-42:1 SM binary complex | | Descriptor: | (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
|
|
7KOZ
 | | CD1a-36:2 SM binary complex | | Descriptor: | (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
|
|
5CXB
 | |
4BKU
 | | Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
|
|
4BKQ
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
|
|
4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
|
|
1P4P
 | | Outer Surface Protein B of B. burgdorferi: crystal structure of the C-terminal fragment | | Descriptor: | Outer surface protein B | | Authors: | Becker, M, Bunikis, J, Lade, B.D, Dunn, J.J, Barbour, A.G, Lawson, C.L. | | Deposit date: | 2003-04-23 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Investigation of Borrelia burgdorferi OspB, a BactericidalFab Target.
J.Biol.Chem., 280, 2005
|
|
4BKO
 | | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-04-29 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv
To be Published
|
|
2LGC
 | |
1RJL
 | | Structure of the complex between OspB-CT and bactericidal Fab-H6831 | | Descriptor: | Fab H6831 H-chain, Fab H6831 L-chain, Outer surface protein B | | Authors: | Becker, M, Bunikis, J, Lade, B.D, Dunn, J.J, Barbour, A.G, Lawson, C.L. | | Deposit date: | 2003-11-19 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Investigation of Borrelia burgdorferi OspB, a BactericidalFab Target.
J.Biol.Chem., 280, 2005
|
|
3QXS
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ANP | | Descriptor: | 1,2-ETHANEDIOL, Dethiobiotin synthetase, MAGNESIUM ION, ... | | Authors: | Klimecka, M.M, Porebski, P.J, Chruszcz, M, Jablonska, K, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-03-02 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
|
|
3QXJ
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GTP | | Descriptor: | 1,2-ETHANEDIOL, Dethiobiotin synthetase, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Klimecka, M.M, Porebski, P.J, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-03-01 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
|
|
2XDQ
 | | Dark Operative Protochlorophyllide Oxidoreductase (ChlN-ChlB)2 Complex | | Descriptor: | 1-METHYLGUANIDINE, IRON/SULFUR CLUSTER, LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE SUBUNIT B, ... | | Authors: | Broecker, M.J, Schomburg, S, Heinz, D.W, Jahn, D, Schubert, W.-D, Moser, J. | | Deposit date: | 2010-05-06 | | Release date: | 2010-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Nitrogenase-Like Dark Operative Protochlorophyllide Oxidoreductase Catalytic Complex (Chln/Chlb)2.
J.Biol.Chem., 285, 2010
|
|
3ZU2
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION | | Authors: | Hirschbeck, M.W, Kuper, J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
|
|
3ZU3
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (MR, cleaved Histag) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | Authors: | Hirschbeck, M.W, Kuper, J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
|
|
3ZU5
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT173 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | Authors: | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
|
|
3ZU4
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT172 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | Authors: | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
|
|
5CZI
 | | EGFR L858R MUTANT IN COMPLEX WITH A SHC PEPTIDE SUBSTRATE | | Descriptor: | Epidermal growth factor receptor, SHC Peptide substrate | | Authors: | Yun, C.H, Eck, M.J. | | Deposit date: | 2015-07-31 | | Release date: | 2015-09-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | EGF-receptor specificity for phosphotyrosine-primed substrates provides signal integration with Src.
Nat.Struct.Mol.Biol., 22, 2015
|
|
6WA2
 | | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
|
|
6WAK
 | | A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
|
|
