7A83
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7JX0
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![BU of 7jx0 by Molmil](/molmil-images/mine/7jx0) | NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma | Descriptor: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Burke, J.E, Rathinaswamy, M.K, Harris, N.J. | Deposit date: | 2020-08-26 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
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7JWZ
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![BU of 7jwz by Molmil](/molmil-images/mine/7jwz) | IPI-549 bound to the PI3Kg catalytic subunit p110 gamma | Descriptor: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Burke, J.E, Rathinaswamy, M.K, Harris, N.J. | Deposit date: | 2020-08-26 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
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2R56
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![BU of 2r56 by Molmil](/molmil-images/mine/2r56) | Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen | Descriptor: | Beta-lactoglobulin, DODECYL-BETA-D-MALTOSIDE, IgE Fab Fragment, ... | Authors: | Niemi, M, Kallio, J.M, Hakulinen, N, Rouvinen, J. | Deposit date: | 2007-09-03 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular interactions between a recombinant IgE antibody and the beta-lactoglobulin allergen. Structure, 15, 2007
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7A7E
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![BU of 7a7e by Molmil](/molmil-images/mine/7a7e) | Structure of a delta-N mutant - E232start - of PA1120 (TpbB or YfiN) from Pseudomonas aeruginosa (PAO1) comprising only the GGDEF domain | Descriptor: | Diguanylate cyclase TpbB, MAGNESIUM ION | Authors: | Giardina, G, Rinaldo, S, Mantoni, F, Brunotti, P. | Deposit date: | 2020-08-28 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts. Life, 11, 2021
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7JYV
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![BU of 7jyv by Molmil](/molmil-images/mine/7jyv) | Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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7JYW
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![BU of 7jyw by Molmil](/molmil-images/mine/7jyw) | Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope | Descriptor: | Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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7JYX
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![BU of 7jyx by Molmil](/molmil-images/mine/7jyx) | Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza | Descriptor: | Beta-2-microglobulin, MHC class I antigen, PB2 peptide from Influenza, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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6ZQR
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6ZWA
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7A03
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![BU of 7a03 by Molmil](/molmil-images/mine/7a03) | The Structure of CHT | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Fernandes, G, Machado, E, Pereira, M, Brear, P, Lemos, E. | Deposit date: | 2020-08-06 | Release date: | 2021-08-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Exploring the genome of Chitinophaga (CB10) for metalocarboxipeptidase activity To Be Published
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7AM5
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7KGT
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![BU of 7kgt by Molmil](/molmil-images/mine/7kgt) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule. Iscience, 24, 2021
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7KGS
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![BU of 7kgs by Molmil](/molmil-images/mine/7kgs) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146 | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule. Iscience, 24, 2021
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7AW2
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![BU of 7aw2 by Molmil](/molmil-images/mine/7aw2) | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | Descriptor: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW1
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![BU of 7aw1 by Molmil](/molmil-images/mine/7aw1) | MerTK kinase domain in complex with a type 2 inhibitor | Descriptor: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AVZ
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![BU of 7avz by Molmil](/molmil-images/mine/7avz) | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | Descriptor: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7KZB
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7KGR
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![BU of 7kgr by Molmil](/molmil-images/mine/7kgr) | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N159-167 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Nucleoprotein | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule. Iscience, 24, 2021
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7KGQ
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![BU of 7kgq by Molmil](/molmil-images/mine/7kgq) | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule. Iscience, 24, 2021
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7APZ
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7APS
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![BU of 7aps by Molmil](/molmil-images/mine/7aps) | The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid | Descriptor: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7APT
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![BU of 7apt by Molmil](/molmil-images/mine/7apt) | The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid | Descriptor: | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7APQ
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![BU of 7apq by Molmil](/molmil-images/mine/7apq) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7KGP
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![BU of 7kgp by Molmil](/molmil-images/mine/7kgp) | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N316-324 | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule. Iscience, 24, 2021
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