7BY7
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![BU of 7by7 by Molmil](/molmil-images/mine/7by7) | Bacteriophage SPO1 protein Gp46 | Descriptor: | Putative gene 46 protein | Authors: | Liu, B, Zhang, P. | Deposit date: | 2020-04-22 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Bacteriophage protein Gp46 is a cross-species inhibitor of nucleoid-associated HU proteins Proc.Natl.Acad.Sci.USA, 119, 2022
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7NBY
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![BU of 7nby by Molmil](/molmil-images/mine/7nby) | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | 5-nitro-1,3-thiazole, CHLORIDE ION, Main Protease, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. To Be Published
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8EIL
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![BU of 8eil by Molmil](/molmil-images/mine/8eil) | C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system | Descriptor: | MALONIC ACID, Protease Lon-related BREX system protein BrxL, SUCCINIC ACID | Authors: | Doyle, L.A, Stoddard, B.L, Kaiser, B. | Deposit date: | 2022-09-15 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor. Nucleic Acids Res., 51, 2023
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6XXN
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![BU of 6xxn by Molmil](/molmil-images/mine/6xxn) | Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen | Descriptor: | NB_7_a,b,c,f, NB_7_g, NB_7_h, ... | Authors: | Shahar, A, Rosenfeld, L, Papo, N. | Deposit date: | 2020-01-28 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer. J.Med.Chem., 63, 2020
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8EQO
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![BU of 8eqo by Molmil](/molmil-images/mine/8eqo) | Crystal structure of E.coli DsbA mutant K58A | Descriptor: | COPPER (II) ION, GLYCEROL, Thiol:disulfide interchange protein DsbA | Authors: | Wang, G, Heras, B. | Deposit date: | 2022-10-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants, 12, 2023
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6XUC
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![BU of 6xuc by Molmil](/molmil-images/mine/6xuc) | Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with coproheme | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Chlorite dismutase | Authors: | Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S. | Deposit date: | 2020-01-17 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8702 Å) | Cite: | Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis, 10, 2020
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7NG6
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![BU of 7ng6 by Molmil](/molmil-images/mine/7ng6) | Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P1 in absence of DTT. | Descriptor: | 3C-like proteinase, ACETATE ION, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2021-02-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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6O5E
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![BU of 6o5e by Molmil](/molmil-images/mine/6o5e) | Crystal structure of the Vitronectin hemopexin-like domain | Descriptor: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | Authors: | Lechtenberg, B.C, Shin, K, Marassi, F.M. | Deposit date: | 2019-03-01 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
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6PLI
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![BU of 6pli by Molmil](/molmil-images/mine/6pli) | Crystal Structure of EcDsbA in a complex with purified oxadiazole 11 | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-07-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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8EF3
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![BU of 8ef3 by Molmil](/molmil-images/mine/8ef3) | |
5MP2
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![BU of 5mp2 by Molmil](/molmil-images/mine/5mp2) | XcpQN012 in complex with VHH04 | Descriptor: | Camelid nanobody VHH04, Type II secretion system protein D | Authors: | Trinh, T.T.N, Roussel, A, Douzi, B, Voulhoux, R. | Deposit date: | 2016-12-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio, 8, 2017
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8OZH
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![BU of 8ozh by Molmil](/molmil-images/mine/8ozh) | In situ cryoEM structure of Prototype Foamy Virus Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | Deposit date: | 2023-05-09 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry. Cell, 2024
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6PKG
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![BU of 6pkg by Molmil](/molmil-images/mine/6pkg) | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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8CGK
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![BU of 8cgk by Molmil](/molmil-images/mine/8cgk) | Lincomycin and Avilamycin bound to the 50S subunit | Descriptor: | (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 23S rRNA, 50S ribosomal protein L15, ... | Authors: | Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N. | Deposit date: | 2023-02-05 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (1.64 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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6PIQ
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![BU of 6piq by Molmil](/molmil-images/mine/6piq) | Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-26 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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1F7Y
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![BU of 1f7y by Molmil](/molmil-images/mine/1f7y) | THE CRYSTAL STRUCTURE OF TWO UUCG LOOPS HIGHLIGHTS THE ROLE PLAYED BY 2'-HYDROXYL GROUPS IN ITS UNUSUAL STABILITY | Descriptor: | 16S RIBOSOMAL RNA FRAGMENT, 30S RIBOSOMAL PROTEIN S15, MAGNESIUM ION, ... | Authors: | Ennifar, E, Nikouline, A, Serganov, A, Tishchenko, S, Nevskaya, N, Garber, M, Ehresmann, B, Ehresmann, C, Nikonov, S, Dumas, P. | Deposit date: | 2000-06-28 | Release date: | 2000-11-22 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of UUCG tetraloop. J.Mol.Biol., 304, 2000
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8CEF
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![BU of 8cef by Molmil](/molmil-images/mine/8cef) | Asymmetric Dimerization in a Transcription Factor Superfamily is Promoted by Allosteric Interactions with DNA | Descriptor: | DNA (26-MER), Nuclear receptor DNA binding domain, ZINC ION | Authors: | Patel, A.K.M, Shaik, T.B, McEwen, A.G, Moras, D, Klaholz, B.P, Billas, I.M.L. | Deposit date: | 2023-02-01 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Asymmetric dimerization in a transcription factor superfamily is promoted by allosteric interactions with DNA. Nucleic Acids Res., 51, 2023
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1F7U
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![BU of 1f7u by Molmil](/molmil-images/mine/1f7u) | CRYSTAL STRUCTURE OF THE ARGINYL-TRNA SYNTHETASE COMPLEXED WITH THE TRNA(ARG) AND L-ARG | Descriptor: | ARGININE, ARGINYL-TRNA SYNTHETASE, SULFATE ION, ... | Authors: | Delagoutte, B, Moras, D, Cavarelli, J. | Deposit date: | 2000-06-28 | Release date: | 2001-06-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | tRNA aminoacylation by arginyl-tRNA synthetase: induced conformations during substrates binding EMBO J., 19, 2000
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1F7V
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![BU of 1f7v by Molmil](/molmil-images/mine/1f7v) | |
6PBI
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![BU of 6pbi by Molmil](/molmil-images/mine/6pbi) | Crystal Structure of EcDsbA in a complex with purified morpholine 8 | Descriptor: | 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-13 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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7N4Y
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![BU of 7n4y by Molmil](/molmil-images/mine/7n4y) | The structure of bovine thyroglobulin with iodinated tyrosines | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, K, Clarke, O.B. | Deposit date: | 2021-06-04 | Release date: | 2021-11-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | The structure of natively iodinated bovine thyroglobulin. Acta Crystallogr D Struct Biol, 77, 2021
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7Q1D
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![BU of 7q1d by Molmil](/molmil-images/mine/7q1d) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-18 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
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6XQX
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![BU of 6xqx by Molmil](/molmil-images/mine/6xqx) | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION | Authors: | Fenton, B.A, Zhou, P, Davies, C. | Deposit date: | 2020-07-10 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state. J.Biol.Chem., 297, 2021
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8F1F
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![BU of 8f1f by Molmil](/molmil-images/mine/8f1f) | Structure of K48-linked tri-ubiquitin in complex with cyclic peptide | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Non-proteinogenic cyclic peptide (inhibitor), ... | Authors: | Lubkowski, J, Fushman, D, Lemma, B. | Deposit date: | 2022-11-05 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation. Nat Commun, 14, 2023
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6XSQ
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![BU of 6xsq by Molmil](/molmil-images/mine/6xsq) | |