1E0Q
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![BU of 1e0q by Molmil](/molmil-images/mine/1e0q) | Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin | Descriptor: | POLYUBIQUITIN-B | Authors: | Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H. | Deposit date: | 2000-04-05 | Release date: | 2001-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding. Protein Sci., 9, 2000
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6OUW
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![BU of 6ouw by Molmil](/molmil-images/mine/6ouw) | |
6OUV
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![BU of 6ouv by Molmil](/molmil-images/mine/6ouv) | |
7T1F
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![BU of 7t1f by Molmil](/molmil-images/mine/7t1f) | Crystal structure of GDP-bound T50I mutant of human KRAS4B | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation. JCI Insight, 8, 2023
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8CXL
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![BU of 8cxl by Molmil](/molmil-images/mine/8cxl) | Structure of NapH3, a vanadium-dependent haloperoxidase homolog catalyzing the stereospecific alpha-hydroxyketone rearrangement reaction in napyradiomycin biosynthesis | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NapH3 | Authors: | Chen, P.Y.-T, Chekan, J.R, Moore, B.S. | Deposit date: | 2022-05-21 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis. Biochemistry, 61, 2022
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6N2N
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![BU of 6n2n by Molmil](/molmil-images/mine/6n2n) | |
6N2O
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![BU of 6n2o by Molmil](/molmil-images/mine/6n2o) | |
6CIP
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![BU of 6cip by Molmil](/molmil-images/mine/6cip) | |
6CIN
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![BU of 6cin by Molmil](/molmil-images/mine/6cin) | |
6CIQ
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![BU of 6ciq by Molmil](/molmil-images/mine/6ciq) | |
6CIO
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![BU of 6cio by Molmil](/molmil-images/mine/6cio) | Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Chen, P.Y.-T, Drennan, C.L. | Deposit date: | 2018-02-24 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3W36
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![BU of 3w36 by Molmil](/molmil-images/mine/3w36) | Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase | Descriptor: | NapH1, VANADATE ION | Authors: | Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S. | Deposit date: | 2012-12-11 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis. Biochemistry, 2022
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3W35
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![BU of 3w35 by Molmil](/molmil-images/mine/3w35) | Crystal structure of apo-type bacterial Vanadium-dependent chloroperoxidase | Descriptor: | NapH1 | Authors: | Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S. | Deposit date: | 2012-12-11 | Release date: | 2013-12-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis. Biochemistry, 2022
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7S2X
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![BU of 7s2x by Molmil](/molmil-images/mine/7s2x) | Structure of SalC, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, POTASSIUM ION, SalC | Authors: | Chen, P.Y.-T, Trivella, D.B.B, Bauman, K.D, Moore, B.S. | Deposit date: | 2021-09-04 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Enzymatic assembly of the salinosporamide gamma-lactam-beta-lactone anticancer warhead. Nat.Chem.Biol., 18, 2022
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7S5L
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![BU of 7s5l by Molmil](/molmil-images/mine/7s5l) | |
6XRL
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![BU of 6xrl by Molmil](/molmil-images/mine/6xrl) | Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | 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, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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6XRM
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![BU of 6xrm by Molmil](/molmil-images/mine/6xrm) | Crystal structure of human PI3K-gamma in complex with Compound 4 | Descriptor: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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8V9I
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![BU of 8v9i by Molmil](/molmil-images/mine/8v9i) | 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ... | Authors: | Chen, P.Y.-T, Drennan, C.L. | Deposit date: | 2023-12-08 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog. Acs Infect Dis., 10, 2024
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8FFU
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![BU of 8ffu by Molmil](/molmil-images/mine/8ffu) | Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine, with the substrate bound | Descriptor: | (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name), Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION | Authors: | Chen, P.Y.-T, Moore, B.S. | Deposit date: | 2022-12-10 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium. Acs Catalysis, 13, 2023
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8FFT
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![BU of 8fft by Molmil](/molmil-images/mine/8fft) | Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine | Descriptor: | Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION | Authors: | Chen, P.Y.-T, Lima, S.T, Chekan, J.R, Moore, B.S. | Deposit date: | 2022-12-10 | Release date: | 2023-04-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium. Acs Catalysis, 13, 2023
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7SXM
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![BU of 7sxm by Molmil](/molmil-images/mine/7sxm) | |
6WTE
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![BU of 6wte by Molmil](/molmil-images/mine/6wte) | Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound | Descriptor: | 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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6WTF
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![BU of 6wtf by Molmil](/molmil-images/mine/6wtf) | Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound | Descriptor: | COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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7SUC
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![BU of 7suc by Molmil](/molmil-images/mine/7suc) | |
8I85
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![BU of 8i85 by Molmil](/molmil-images/mine/8i85) | Crystal structure of Cph001-D189N in complex with ATP | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | Deposit date: | 2023-02-03 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin. Commun Biol, 6, 2023
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