5K2O
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![BU of 5k2o by Molmil](/molmil-images/mine/5k2o) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid, Acetolactate synthase, ... | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | Deposit date: | 2016-05-19 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.873 Å) | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K3S
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![BU of 5k3s by Molmil](/molmil-images/mine/5k3s) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, Acetolactate synthase, ... | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | Deposit date: | 2016-05-19 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.873 Å) | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7JUK
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![BU of 7juk by Molmil](/molmil-images/mine/7juk) | Crystal structure of PTEN with a tetra-phosphorylated tail (4p-crPTEN-13sp-T2, SDTTDSDPENEG) | Descriptor: | PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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7KH7
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![BU of 7kh7 by Molmil](/molmil-images/mine/7kh7) | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565 | Descriptor: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | Authors: | Kurz, J.L, Patel, K.P, Guddat, L.W. | Deposit date: | 2020-10-20 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase. Chemistry, 27, 2021
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7LAT
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7KE2
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![BU of 7ke2 by Molmil](/molmil-images/mine/7ke2) | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565 | Descriptor: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION | Authors: | Kurz, J.L, Patel, K.P, Guddat, L.W. | Deposit date: | 2020-10-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase. Chemistry, 27, 2021
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5VO4
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6DEP
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![BU of 6dep by Molmil](/molmil-images/mine/6dep) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEL
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![BU of 6del by Molmil](/molmil-images/mine/6del) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DES
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![BU of 6des by Molmil](/molmil-images/mine/6des) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7JVX
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![BU of 7jvx by Molmil](/molmil-images/mine/7jvx) | Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED) | Descriptor: | PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-24 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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7JUL
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![BU of 7jul by Molmil](/molmil-images/mine/7jul) | Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG) | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-20 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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7JTX
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6DEM
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6DEK
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6DER
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![BU of 6der by Molmil](/molmil-images/mine/6der) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.126 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEN
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6DEO
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6DEQ
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![BU of 6deq by Molmil](/molmil-images/mine/6deq) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GSF
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![BU of 6gsf by Molmil](/molmil-images/mine/6gsf) | Solution structure of lipase binding domain LID1 of foldase from Pseudomonas aeruginosa | Descriptor: | Lipase chaperone | Authors: | Viegas, A, Jaeger, K.-E, Etzkorn, M, Gohlke, H, Verma, N, Dollinger, P, Kovacic, F. | Deposit date: | 2018-06-14 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation. Sci Rep, 10, 2020
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5LCS
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4ZRZ
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![BU of 4zrz by Molmil](/molmil-images/mine/4zrz) | PlyCB mutant R66E | Descriptor: | PlyCB | Authors: | Gallagher, D.T, Nelson, D.C, Shen, Y. | Deposit date: | 2015-05-12 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A bacteriophage endolysin that eliminates intracellular streptococci. Elife, 5, 2016
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6PCZ
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![BU of 6pcz by Molmil](/molmil-images/mine/6pcz) | Crystal structure of the bacterial cellulose synthase subunit G (BcsG) catalytic domain from Escherichia coli, selenomethionine variant | Descriptor: | Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION | Authors: | Anderson, A.C, Brenner, T, Weadge, J.T. | Deposit date: | 2019-06-18 | Release date: | 2020-03-18 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase. J.Biol.Chem., 295, 2020
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6PD0
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![BU of 6pd0 by Molmil](/molmil-images/mine/6pd0) | Crystal structure of the bacterial cellulose synthase subunit G (BcsG) from Escherichia coli, catalytic domain | Descriptor: | Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION | Authors: | Anderson, A.C, Brenner, T, Weadge, J.T. | Deposit date: | 2019-06-18 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase. J.Biol.Chem., 295, 2020
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3W09
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![BU of 3w09 by Molmil](/molmil-images/mine/3w09) | Influenza virus neuraminidase subtype N9 (TERN) complexed with 2,3-dif guanidino-neu5ac2en inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Streltsov, V.A. | Deposit date: | 2012-10-25 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism-based covalent neuraminidase inhibitors with broad-spectrum influenza antiviral activity Science, 340, 2013
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