5LCH
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![BU of 5lch by Molmil](/molmil-images/mine/5lch) | VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | Descriptor: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-21 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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7ON6
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![BU of 7on6 by Molmil](/molmil-images/mine/7on6) | Crystal structure of the computationally designed SAKe6AE protein | Descriptor: | SAKe6AE, SULFATE ION | Authors: | Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-05-25 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
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5LCZ
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![BU of 5lcz by Molmil](/molmil-images/mine/5lcz) | Chimeric GST | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1,Glutathione S-transferase alpha-2,Glutathione S-transferase A1,Glutathione S-transferase alpha-2,Glutathione S-transferase A1 | Authors: | Axarli, A, Muleta, A.W, Chronopoulou, E.G, Papageorgiou, A.C, Labrou, N.E. | Deposit date: | 2016-06-23 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.325 Å) | Cite: | Directed evolution of glutathione transferases towards a selective glutathione-binding site and improved oxidative stability. Biochim. Biophys. Acta, 1861, 2017
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6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/6xze) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-04 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6ZNU
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![BU of 6znu by Molmil](/molmil-images/mine/6znu) | MaeB PTA domain E544R mutant | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
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4WMZ
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![BU of 4wmz by Molmil](/molmil-images/mine/4wmz) | S. cerevisiae CYP51 complexed with fluconazole in the active site | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A. | Deposit date: | 2014-10-09 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 59, 2015
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5LIE
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![BU of 5lie by Molmil](/molmil-images/mine/5lie) | |
7S4K
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![BU of 7s4k by Molmil](/molmil-images/mine/7s4k) | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.34 Angstrom resolution | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-09-09 | Release date: | 2022-03-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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8EEQ
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![BU of 8eeq by Molmil](/molmil-images/mine/8eeq) | CryoEM structures of bAE1 captured in multiple states. | Descriptor: | Anion exchange protein | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | Deposit date: | 2022-09-07 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
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5LDA
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![BU of 5lda by Molmil](/molmil-images/mine/5lda) | Structure of deubiquitinating enzyme homolog (Pyrococcus furiosus JAMM1) in complex with ubiquitin-like SAMP2. | Descriptor: | GLYCEROL, JAMM1, SAMP2, ... | Authors: | Cao, S, Engilberge, S, Girard, E, Gabel, F, Franzetti, B, Maupin-Furlow, J.A. | Deposit date: | 2016-06-24 | Release date: | 2017-06-21 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight into Ubiquitin-Like Protein Recognition and Oligomeric States of JAMM/MPN(+) Proteases. Structure, 25, 2017
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5LGT
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![BU of 5lgt by Molmil](/molmil-images/mine/5lgt) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | Descriptor: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-08 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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4WQ9
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![BU of 4wq9 by Molmil](/molmil-images/mine/4wq9) | Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak | Descriptor: | 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ... | Authors: | Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-18 | Last modified: | 2021-09-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem., 290, 2015
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6ZN4
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![BU of 6zn4 by Molmil](/molmil-images/mine/6zn4) | MaeB malic enzyme domain apoprotein | Descriptor: | MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
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8BLO
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![BU of 8blo by Molmil](/molmil-images/mine/8blo) | Human Urea Transporter UT-A (N-Terminal Domain Model) | Descriptor: | Lauryl Maltose Neopentyl Glycol, Urea transporter 2, di-heneicosanoyl phosphatidyl choline | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Scacioc, A, Wang, D, McKinley, G, Fernandez-Cid, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Burgess-Brown, N.A, van Putte, W, Duerr, K. | Deposit date: | 2022-11-10 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural characterization of human urea transporters UT-A and UT-B and their inhibition. Sci Adv, 9, 2023
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4WS4
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![BU of 4ws4 by Molmil](/molmil-images/mine/4ws4) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I | Descriptor: | 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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7S4J
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![BU of 7s4j by Molmil](/molmil-images/mine/7s4j) | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.16 Angstrom resolution | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-09-09 | Release date: | 2022-03-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.16 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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6LKT
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![BU of 6lkt by Molmil](/molmil-images/mine/6lkt) | Crystal structure of the Fab fragment of murine monoclonal antibody KH-1 against Human herpesvirus 6B | Descriptor: | antibody Fab Fragment L-chain, antibody Fab fragment H chain | Authors: | Nishimura, M, Novita, B.D, Kato, T, Tjan, L.H, Wang, B, Wakata, A, Poetranto, A.L, Kawabata, A, Tang, H, Aoshi, T, Mori, Y. | Deposit date: | 2019-12-20 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the interaction of human herpesvirus 6B tetrameric glycoprotein complex with the cellular receptor, human CD134. Plos Pathog., 16, 2020
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6E8T
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![BU of 6e8t by Molmil](/molmil-images/mine/6e8t) | |
6ZNK
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![BU of 6znk by Molmil](/molmil-images/mine/6znk) | MaeB PTA domain N718D mutant | Descriptor: | Malate dehydrogenase, SULFATE ION | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.039 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
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7S4H
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![BU of 7s4h by Molmil](/molmil-images/mine/7s4h) | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.14 Angstrom resolution | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-09-08 | Release date: | 2022-03-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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8RTC
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![BU of 8rtc by Molmil](/molmil-images/mine/8rtc) | |
7S4L
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![BU of 7s4l by Molmil](/molmil-images/mine/7s4l) | CryoEM structure of Methylotuvimicrobium alcaliphilum 20Z pMMO in a POPC nanodisc at 2.46 Angstrom resolution | Descriptor: | (S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, COPPER (II) ION, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-09-09 | Release date: | 2022-03-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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4WS0
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![BU of 4ws0 by Molmil](/molmil-images/mine/4ws0) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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8OOY
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![BU of 8ooy by Molmil](/molmil-images/mine/8ooy) | Pol I bound to extended and displaced DNA section - open conformation | Descriptor: | DNA polymerase I, Displacing Primer, Extending Primer, ... | Authors: | Botto, M, Borsellini, A, Lamers, M.H. | Deposit date: | 2023-04-06 | Release date: | 2023-08-09 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | A four-point molecular handover during Okazaki maturation. Nat.Struct.Mol.Biol., 30, 2023
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6RXG
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![BU of 6rxg by Molmil](/molmil-images/mine/6rxg) | |