5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | Descriptor: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | Deposit date: | 2015-09-02 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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5D6Q
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![BU of 5d6q by Molmil](/molmil-images/mine/5d6q) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7C
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![BU of 5d7c by Molmil](/molmil-images/mine/5d7c) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5DGN
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6KLV
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![BU of 6klv by Molmil](/molmil-images/mine/6klv) | Hyperthermophilic respiratory Complex III | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ANTIMYCIN, ... | Authors: | Fei, S, Hartmut, M, Yun, Z, Guohong, P, Guoliang, Z, Hui, Z, Shuangbo, Z, Xiaoyun, P, Yan, Z. | Deposit date: | 2019-07-30 | Release date: | 2020-05-13 | Last modified: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A 3.3 angstrom -Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of Its Thermal Stability. Angew.Chem.Int.Ed.Engl., 59, 2020
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453D
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![BU of 453d by Molmil](/molmil-images/mine/453d) | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-BENZIMIDAZOLE COMPLEX | Descriptor: | 4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Neidle, S. | Deposit date: | 1999-02-18 | Release date: | 2000-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric bis-benzimidazoles, a new class of sequence-selective DNA-binding molecules J.Chem.Soc.,Chem.Commun., 1999
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7QQ3
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![BU of 7qq3 by Molmil](/molmil-images/mine/7qq3) | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Koller, T.O, Beckert, B, Wilson, D.N. | Deposit date: | 2022-01-06 | Release date: | 2023-01-18 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition. J.Am.Chem.Soc., 145, 2023
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5DGM
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8C9N
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![BU of 8c9n by Molmil](/molmil-images/mine/8c9n) | MiniCoV-ADDomer, a SARS-CoV-2 epitope presenting viral like particle | Descriptor: | Penton protein | Authors: | Bufton, J.C, Capin, J, Boruku, U, Garzoni, F, Schaffitzel, C, Berger, I. | Deposit date: | 2023-01-23 | Release date: | 2023-12-06 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | In vitro generated antibodies guide thermostable ADDomer nanoparticle design for nasal vaccination and passive immunization against SARS-CoV-2. Antib Ther, 6, 2023
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4FE5
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![BU of 4fe5 by Molmil](/molmil-images/mine/4fe5) | Crystal structure of the xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ... | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | Deposit date: | 2012-05-29 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structure of a natural guanine-responsive riboswitch complexed with the metabolite hypoxanthine. Nature, 432, 2004
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6Q6Z
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6DBY
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![BU of 6dby by Molmil](/molmil-images/mine/6dby) | Crystal structure of Nudix 1 from Arabidopsis thaliana | Descriptor: | MAGNESIUM ION, Nudix hydrolase 1 | Authors: | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | Deposit date: | 2018-05-03 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of isopentenyl phosphate to plant terpenoid metabolism. Nat Plants, 4, 2018
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6DKK
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![BU of 6dkk by Molmil](/molmil-images/mine/6dkk) | Structure of BoNT | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | Authors: | Lam, K, Jin, R. | Deposit date: | 2018-05-29 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1. Nat Commun, 9, 2018
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6DBZ
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![BU of 6dbz by Molmil](/molmil-images/mine/6dbz) | Crystal structure of Nudix 1 from Arabidopsis thaliana complexed with isopentenyl diphosphate | Descriptor: | ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1 | Authors: | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | Deposit date: | 2018-05-03 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of isopentenyl phosphate to plant terpenoid metabolism. Nat Plants, 4, 2018
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5DLV
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![BU of 5dlv by Molmil](/molmil-images/mine/5dlv) | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | Descriptor: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5ECQ
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![BU of 5ecq by Molmil](/molmil-images/mine/5ecq) | Crystal Structure of FIN219-FIP1 complex with JA, VAL and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7QVQ
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![BU of 7qvq by Molmil](/molmil-images/mine/7qvq) | Human telomeric DNA G-quadruplex of a gold(III) complex containing the 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine ligand | Descriptor: | 2,4,6-tris (2-pyrimidyl)-1,3,5-triazine gold(III) complex, POTASSIUM ION, human telomeric DNA | Authors: | Bazzicalupi, C, Ryde, U, Gratteri, P, Bergmann, J. | Deposit date: | 2022-01-23 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. Int J Mol Sci, 23, 2022
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7A6I
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![BU of 7a6i by Molmil](/molmil-images/mine/7a6i) | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6J
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![BU of 7a6j by Molmil](/molmil-images/mine/7a6j) | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7A6K
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![BU of 7a6k by Molmil](/molmil-images/mine/7a6k) | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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7B85
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![BU of 7b85 by Molmil](/molmil-images/mine/7b85) | Crystal Structure of EGFR-WT in Complex with TAK-788 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-12-12 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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6ZCC
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![BU of 6zcc by Molmil](/molmil-images/mine/6zcc) | X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6ZBQ
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![BU of 6zbq by Molmil](/molmil-images/mine/6zbq) | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | Descriptor: | 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ... | Authors: | Roske, Y, Heinemann, U, Oschkinat, H. | Deposit date: | 2020-06-09 | Release date: | 2021-06-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling J.Magn.Reson., 2021
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6ZBZ
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![BU of 6zbz by Molmil](/molmil-images/mine/6zbz) | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling | Descriptor: | 1,2-ETHANEDIOL, 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid, Dishevelled, ... | Authors: | Roske, Y, Heinemann, U, Oschkinat, H. | Deposit date: | 2020-06-09 | Release date: | 2021-06-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling J.Magn.Reson., 2021
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6ZC7
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![BU of 6zc7 by Molmil](/molmil-images/mine/6zc7) | |