8QNB
 
 | | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-galactono-1,4-lactone, L-galactono-1,4-lactone dehydrogenase | | Authors: | Boverio, A, Mattevi, A. | | Deposit date: | 2023-09-26 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: in complex with L-galactono-1,4-lactone
To Be Published
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8LDH
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8QNC
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8B20
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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8OFB
 | | Crystal Structure of T. maritima reverse gyrase with a minimal latch, hexagonal form | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Reverse gyrase, ... | | Authors: | Klostermeier, D, Rasche, R, Mhaindarkar, V, Kummel, D, Rudolph, M.G. | | Deposit date: | 2023-03-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of reverse gyrase with a minimal latch that supports ATP-dependent positive supercoiling without specific interactions with the topoisomerase domain.
Acta Crystallogr D Struct Biol, 79, 2023
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8B1W
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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6LQ1
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8JOJ
 | | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate | | Descriptor: | 3-ketosteroid dehydrogenase, 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | | Deposit date: | 2023-06-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.819 Å) | | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
To Be Published
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6IFI
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6UUG
 | | Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens at 1.69 angstrom resolution | | Descriptor: | Putative dehydrogenase | | Authors: | Soule, J, Gnann, A.D, Gonzalez, R, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P. | | Deposit date: | 2019-10-30 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Structure and function of the two-component flavin-dependent methanesulfinate monooxygenase within bacterial sulfur assimilation.
Biochem.Biophys.Res.Commun., 522, 2020
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6C0B
 | | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2017-12-28 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
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6I3L
 | | Bilirubin oxidase from Myrothecium verrucaria, mutant W396F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ... | | Authors: | Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J. | | Deposit date: | 2018-11-06 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
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8B1Z
 | | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | | Deposit date: | 2022-09-12 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.
Pharmaceuticals, 16, 2023
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6C0E
 | | Crystal Structure of Isocitrate Dehydrogenase from Legionella pneumophila with bound NADPH with an alpha-ketoglutarate adduct | | Descriptor: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, CHLORIDE ION, GLYCINE, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2017-12-29 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Isocitrate Dehydrogenase from Legionella pneumophila with bound NADPH with an ??-ketoglutarate adduct
to be published
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6UPK
 | | Structure of FACT_subnucleosome complex 1 | | Descriptor: | DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ... | | Authors: | Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K. | | Deposit date: | 2019-10-17 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | FACT caught in the act of manipulating the nucleosome.
Nature, 577, 2020
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7LTE
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (with SAH) | | Descriptor: | LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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3SQW
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8QMY
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2YNG
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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6US3
 | | MTH1 in complex with compound 4 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | Authors: | Newby, Z.E.R, Lansdon, E.B. | | Deposit date: | 2019-10-24 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47028923 Å) | | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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5MPS
 | | Structure of a spliceosome remodeled for exon ligation | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | | Deposit date: | 2016-12-18 | | Release date: | 2017-01-18 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
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7LTC
 | | Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (no cofactor) | | Descriptor: | LigA domain-containing protein, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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6LYZ
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6UW2
 | | Clotrimazole bound complex of Acanthamoeba castellanii CYP51 | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ... | | Authors: | Sharma, V, Podust, L.M. | | Deposit date: | 2019-11-04 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
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7LTF
 | | Structure of the alpha-N-methyltransferase (SonM mutant Y58F) and RiPP precursor (SonA) heteromeric complex (no cofactor) | | Descriptor: | LigA domain-containing protein, TP-methylase family protein | | Authors: | Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
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