6P3N
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![BU of 6p3n by Molmil](/molmil-images/mine/6p3n) | Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, tetrahydroprotoberberine N-methyltransferase | Authors: | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2019-05-24 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
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8EFN
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![BU of 8efn by Molmil](/molmil-images/mine/8efn) | Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP | Descriptor: | 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein | Authors: | Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J. | Deposit date: | 2022-09-08 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity. Cell, 186, 2023
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8EFM
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![BU of 8efm by Molmil](/molmil-images/mine/8efm) | Structure of coral STING receptor from Stylophora pistillata in complex with 2',3'-cGAMP | Descriptor: | SULFATE ION, Stimulator of interferon genes protein, cGAMP | Authors: | Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J. | Deposit date: | 2022-09-08 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity. Cell, 186, 2023
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6P2M
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![BU of 6p2m by Molmil](/molmil-images/mine/6p2m) | Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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6DFJ
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![BU of 6dfj by Molmil](/molmil-images/mine/6dfj) | |
4Y1S
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![BU of 4y1s by Molmil](/molmil-images/mine/4y1s) | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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6P2O
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![BU of 6p2o by Molmil](/molmil-images/mine/6p2o) | Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments XLLG and XXXG | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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6PI9
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![BU of 6pi9 by Molmil](/molmil-images/mine/6pi9) | Crystal structure of 16S rRNA methyltransferase RmtF in complex with S-Adenosyl-L-homocysteine | Descriptor: | 16S rRNA (guanine(1405)-N(7))-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Stogios, P.J, Kim, Y, Evdokimova, E, Di Leo, R, Semper, C, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-06-26 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of 16S rRNA methylase RmtF in complex with S-Adenosyl-L-homocysteine To be Published
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4XV0
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![BU of 4xv0 by Molmil](/molmil-images/mine/4xv0) | Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei | Descriptor: | Beta-xylanase, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Xu, X, Cui, H, Savchenko, A. | Deposit date: | 2015-01-26 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9697 Å) | Cite: | Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei To Be Published
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4XVH
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![BU of 4xvh by Molmil](/molmil-images/mine/4xvh) | Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD) | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Carbohydrate esterase family 2 (CE2), GLYCEROL | Authors: | Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A. | Deposit date: | 2015-01-27 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9449 Å) | Cite: | Crystal structure of a Corynascus thermopiles carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD) To Be Published
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4XX6
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![BU of 4xx6 by Molmil](/molmil-images/mine/4xx6) | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... | Authors: | Stogios, P.J, Nocek, B, Xu, X, Cui, H, Lowden, M, Savchenko, A. | Deposit date: | 2015-01-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum. To Be Published
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5MEQ
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![BU of 5meq by Molmil](/molmil-images/mine/5meq) | Human Leukocyte Antigen A02 presenting ILAKFLHTL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase. J. Biol. Chem., 292, 2017
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5MH5
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![BU of 5mh5 by Molmil](/molmil-images/mine/5mh5) | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution) | Descriptor: | 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ... | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | Deposit date: | 2016-11-23 | Release date: | 2018-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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8EZT
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![BU of 8ezt by Molmil](/molmil-images/mine/8ezt) | Crystal structure of HipB(Lp) from Legionella pneumophila | Descriptor: | CHLORIDE ION, HipB(Lp) | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-11-01 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of HipB(Lp) from Legionella pneumophila To Be Published
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8EZS
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![BU of 8ezs by Molmil](/molmil-images/mine/8ezs) | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein | Descriptor: | CHLORIDE ION, HipS(Lp), HipT(Lp) | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-11-01 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein To Be Published
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8EGZ
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![BU of 8egz by Molmil](/molmil-images/mine/8egz) | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate | Descriptor: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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6DR6
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![BU of 6dr6 by Molmil](/molmil-images/mine/6dr6) | |
8EH0
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![BU of 8eh0 by Molmil](/molmil-images/mine/8eh0) | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide | Descriptor: | 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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7S7P
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![BU of 7s7p by Molmil](/molmil-images/mine/7s7p) | |
8EH1
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![BU of 8eh1 by Molmil](/molmil-images/mine/8eh1) | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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8EGY
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![BU of 8egy by Molmil](/molmil-images/mine/8egy) | Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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7K77
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![BU of 7k77 by Molmil](/molmil-images/mine/7k77) | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025 | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-09-22 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025 To Be Published
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8S8C
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![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Day, P.J, Cleasby, A. | Deposit date: | 2024-03-06 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
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6DWA
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6DWC
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![BU of 6dwc by Molmil](/molmil-images/mine/6dwc) | Structure of the apo 4497 antibody Fab fragment | Descriptor: | 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ... | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2018-06-26 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid. MAbs, 10, 2018
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