7E3O
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7NK0
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![BU of 7nk0 by Molmil](/molmil-images/mine/7nk0) | Structure of the BIR1 domain of cIAP2 | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | Deposit date: | 2021-02-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway. Comput Struct Biotechnol J, 19, 2021
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7DTE
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![BU of 7dte by Molmil](/molmil-images/mine/7dte) | SARS-CoV-2 RdRP catalytic complex with T33-1 RNA | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ... | Authors: | Wang, Q, Gong, P. | Deposit date: | 2021-01-04 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex. Cell Rep, 37, 2021
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1SA5
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![BU of 1sa5 by Molmil](/molmil-images/mine/1sa5) | Rat protein farnesyltransferase complexed with FPP and BMS-214662 | Descriptor: | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | Authors: | Reid, T.S, Beese, L.S. | Deposit date: | 2004-02-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of the Anticancer Clinical Candidates R115777 (Tipifarnib) and BMS-214662 Complexed with Protein Farnesyltransferase Suggest a Mechanism of FTI Selectivity. Biochemistry, 43, 2004
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2BLX
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![BU of 2blx by Molmil](/molmil-images/mine/2blx) | HEWL before a high dose x-ray "burn" | Descriptor: | LYSOZYME C, TETRAETHYLENE GLYCOL | Authors: | Nanao, M.H, Ravelli, R.B. | Deposit date: | 2005-03-08 | Release date: | 2005-09-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving Radiation-Damage Substructures for Rip. Acta Crystallogr.,Sect.D, 61, 2005
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7ZYN
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![BU of 7zyn by Molmil](/molmil-images/mine/7zyn) | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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1SHT
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![BU of 1sht by Molmil](/molmil-images/mine/1sht) | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor | Descriptor: | ACETATE ION, Anthrax toxin receptor 2, MAGNESIUM ION | Authors: | Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J. | Deposit date: | 2004-02-26 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor Proc.Natl.Acad.Sci.USA, 101, 2004
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7ZYM
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![BU of 7zym by Molmil](/molmil-images/mine/7zym) | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYP
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![BU of 7zyp by Molmil](/molmil-images/mine/7zyp) | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYQ
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![BU of 7zyq by Molmil](/molmil-images/mine/7zyq) | Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2022-05-25 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7EK4
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![BU of 7ek4 by Molmil](/molmil-images/mine/7ek4) | prawn ferritin to coordinate with heavy metal ions | Descriptor: | FE (III) ION, Ferritin, MERCURY (II) ION | Authors: | Wang, Y, Zang, J. | Deposit date: | 2021-04-03 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin. Int J Mol Sci, 22, 2021
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7N9G
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![BU of 7n9g by Molmil](/molmil-images/mine/7n9g) | Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, PHOSPHATE ION, ... | Authors: | Miller, D.J, Xie, T. | Deposit date: | 2021-06-17 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Imatinib can act as an Allosteric Activator of Abl Kinase. J.Mol.Biol., 434, 2022
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7EK7
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![BU of 7ek7 by Molmil](/molmil-images/mine/7ek7) | prawn ferritin to coordinate with heavy metal ions | Descriptor: | Ferritin, MERCURY (II) ION | Authors: | Wang, Y, Zang, J. | Deposit date: | 2021-04-04 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin. Int J Mol Sci, 22, 2021
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7EK5
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![BU of 7ek5 by Molmil](/molmil-images/mine/7ek5) | prawn ferritin to coordinate with heavy metal ions | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin | Authors: | Wang, Y, Zang, J. | Deposit date: | 2021-04-03 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin. Int J Mol Sci, 22, 2021
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2YDG
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![BU of 2ydg by Molmil](/molmil-images/mine/2ydg) | Ascorbate co-crystallized HEWL. | Descriptor: | ASCORBIC ACID, Lysozyme C, SODIUM ION | Authors: | De la Mora, E, Carmichael, I, Garman, E.F. | Deposit date: | 2011-03-19 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals. J.Synchrotron.Radiat., 18, 2011
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2BPU
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![BU of 2bpu by Molmil](/molmil-images/mine/2bpu) | The Kedge Holmium Derivative of Hen Egg-White Lysozyme at high resolution from Single Wavelength Anomalous Diffraction | Descriptor: | CHLORIDE ION, HOLMIUM ATOM, LYSOZYME C, ... | Authors: | Jakoncic, J, Di Michiel, M, Zhong, Z, Honkimaki, V, Jouanneau, Y, Stojanoff, V. | Deposit date: | 2005-04-25 | Release date: | 2006-08-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography. J.Appl.Crystallogr., 39, 2006
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2YAZ
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![BU of 2yaz by Molmil](/molmil-images/mine/2yaz) | The Crystal Structure of Leishmania major dUTPase in complex dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, MAGNESIUM ION, ... | Authors: | Hemsworth, G.R, Moroz, O.V, Fogg, M.J, Scott, B, Bosch-Navarrete, C, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2011-02-25 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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2YAY
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![BU of 2yay by Molmil](/molmil-images/mine/2yay) | The Crystal Structure of Leishmania major dUTPase in complex with substrate analogue dUpNpp | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, DUTPASE | Authors: | Hemsworth, G.R, Moroz, O.V, Fogg, M.J, Scott, B, Bosch-Navarrete, C, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2011-02-25 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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2YCM
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![BU of 2ycm by Molmil](/molmil-images/mine/2ycm) | Inhibitors of herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-16 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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2YBN
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8A9O
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![BU of 8a9o by Molmil](/molmil-images/mine/8a9o) | Structure of the polyamine acetyltransferase DpA | Descriptor: | ACETYL COENZYME *A, BROMIDE ION, COENZYME A, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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8A9N
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![BU of 8a9n by Molmil](/molmil-images/mine/8a9n) | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | Descriptor: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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2J2S
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![BU of 2j2s by Molmil](/molmil-images/mine/2j2s) | Solution structure of the nonmethyl-CpG-binding CXXC domain of the leukaemia-associated MLL histone methyltransferase | Descriptor: | ZINC FINGER PROTEIN HRX, ZINC ION | Authors: | Allen, M.D, Grummitt, C.G, Hilcenko, C, Young-Min, S, Tonkin, L.M, Johnson, C.M, Bycroft, M, Warren, A.J. | Deposit date: | 2006-08-17 | Release date: | 2006-08-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Nonmethyl-Cpg-Binding Cxxc Domain of the Leukaemia-Associated Mll Histone Methyltransferase Embo J., 25, 2006
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2IGA
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![BU of 2iga by Molmil](/molmil-images/mine/2iga) | Structure of Homoprotocatechuate 2,3-Dioxygenase from B. fuscum in complex with reactive intermediates formed via in crystallo reaction with 4-nitrocatechol at low oxygen concentrations. | Descriptor: | (1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-5-NITROCYCLOHEXA-3,5-DIENE, 1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2006-09-22 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of Fe2+ dioxygenase superoxo, alkylperoxo, and bound product intermediates Science, 316, 2007
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8AG2
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![BU of 8ag2 by Molmil](/molmil-images/mine/8ag2) | Crystal structure of the BPTF bromodomain in complex with BI-7190 | Descriptor: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-07-19 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.025 Å) | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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