5CPC
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7KPM
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![BU of 7kpm by Molmil](/molmil-images/mine/7kpm) | Crystal structure of hEphB1 bound with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ephrin type-B receptor 1 | Authors: | Ahmed, M, Wang, P, Sadek, H. | Deposit date: | 2020-11-11 | Release date: | 2021-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.608 Å) | Cite: | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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7PCC
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![BU of 7pcc by Molmil](/molmil-images/mine/7pcc) | BurG in complex with Mg2+ and NAD+ (holo): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCG
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![BU of 7pcg by Molmil](/molmil-images/mine/7pcg) | BurG (holo) in complex with cyclopropane-1,1-dicarboxylate (7): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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1WTG
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![BU of 1wtg by Molmil](/molmil-images/mine/1wtg) | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | Deposit date: | 2004-11-23 | Release date: | 2005-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 326, 2005
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6SU5
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![BU of 6su5 by Molmil](/molmil-images/mine/6su5) | Ph2119 endolysin from Thermus scotoductus MAT2119 bacteriophage Ph2119 | Descriptor: | GLYCEROL, Lysozyme, PHOSPHATE ION, ... | Authors: | Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension. Int J Mol Sci, 21, 2020
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7PCE
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![BU of 7pce by Molmil](/molmil-images/mine/7pce) | BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ketol-acid reductoisomerase, PHOSPHATE ION | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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5UPU
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![BU of 5upu by Molmil](/molmil-images/mine/5upu) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Kim, Y, Makowska-Grzyska, M, Maltseva, N, Mulligan, R, Gu, M, Sacchettini, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 To Be Published
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7PCO
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![BU of 7pco by Molmil](/molmil-images/mine/7pco) | BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCT
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![BU of 7pct by Molmil](/molmil-images/mine/7pct) | BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-04 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7L70
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![BU of 7l70 by Molmil](/molmil-images/mine/7l70) | The eukaryotic translation initiation factor 2B from Homo sapiens in its apo form | Descriptor: | Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ... | Authors: | Wang, L, Schoof, M, Lawrence, R, Boone, M, Frost, A, Walter, P. | Deposit date: | 2020-12-24 | Release date: | 2021-03-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | eIF2B conformation and assembly state regulates the integrated stress response. Elife, 10, 2021
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7PCN
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![BU of 7pcn by Molmil](/molmil-images/mine/7pcn) | BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCL
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![BU of 7pcl by Molmil](/molmil-images/mine/7pcl) | BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins | Descriptor: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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6CP5
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![BU of 6cp5 by Molmil](/molmil-images/mine/6cp5) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of oligomycin bound generated from focused refinement. | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | Deposit date: | 2018-03-13 | Release date: | 2018-04-11 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
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7PCM
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![BU of 7pcm by Molmil](/molmil-images/mine/7pcm) | BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCI
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![BU of 7pci by Molmil](/molmil-images/mine/7pci) | BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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8IYH
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![BU of 8iyh by Molmil](/molmil-images/mine/8iyh) | Structure of MK6892-GPR109A-G-protein complex | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-04-04 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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8JHN
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![BU of 8jhn by Molmil](/molmil-images/mine/8jhn) | Structure of MMF-GPR109A-G protein complex | Descriptor: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid, G protein subunit alpha o1,Guanine nucleotide-binding protein G(o) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-05-24 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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5UI7
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![BU of 5ui7 by Molmil](/molmil-images/mine/5ui7) | Solution NMR Structure of Lasso Peptide Klebsidin | Descriptor: | Klebsidin | Authors: | Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R. | Deposit date: | 2017-01-13 | Release date: | 2017-02-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae. ACS Chem. Biol., 12, 2017
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6CCN
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![BU of 6ccn by Molmil](/molmil-images/mine/6ccn) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide | Descriptor: | (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
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1WDV
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![BU of 1wdv by Molmil](/molmil-images/mine/1wdv) | Crystal structure of hypothetical protein APE2540 | Descriptor: | hypothetical protein APE2540 | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-18 | Release date: | 2004-11-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a putative trans-editing enzyme for prolyl-tRNA synthetase from Aeropyrum pernix K1 at 1.7 A resolution. Acta Crystallogr.,Sect.F, 61, 2005
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7KFZ
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![BU of 7kfz by Molmil](/molmil-images/mine/7kfz) | Structure of a ternary KRas(G13D)-SOS complex | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Liu, C, Moghadamchargari, Z, Laganowsky, A, Zhao, M. | Deposit date: | 2020-10-15 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Molecular assemblies of the catalytic domain of SOS with KRas and oncogenic mutants. Proc.Natl.Acad.Sci.USA, 118, 2021
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8IYW
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![BU of 8iyw by Molmil](/molmil-images/mine/8iyw) | Structure of GSK256073-GPR109A-G-protein complex | Descriptor: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-04-06 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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6JLN
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![BU of 6jln by Molmil](/molmil-images/mine/6jln) | XFEL structure of cyanobacterial photosystem II (1F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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8IY9
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![BU of 8iy9 by Molmil](/molmil-images/mine/8iy9) | Structure of Niacin-GPR109A-G protein complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-04-04 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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