2UZH
 
 | | Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | | Descriptor: | 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Buetow, L, Brown, A.C, Parish, T, Hunter, W.N. | | Deposit date: | 2007-04-27 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery.
Bmc Struct.Biol., 7, 2007
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6DA7
 | | Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2018-05-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
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4ATN
 | | Crystal structure of C2498 2'-O-ribose methyltransferase RlmM from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, RIBOSOMAL RNA LARGE SUBUNIT METHYLTRANSFERASE M, ... | | Authors: | Punekar, A.S, Shepherd, T.R, Liljeruhm, J, Forster, A.C, Selmer, M. | | Deposit date: | 2012-05-08 | | Release date: | 2012-08-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Nucleic Acids Res., 40, 2012
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7YJP
 | | Crystal structure of MCR-1 treated by AuCl | | Descriptor: | GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1 | | Authors: | Zhang, Q, Wang, M, Sun, H. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
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7YJR
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7YJQ
 | | Crystal structure of MCR-1-S treated by auranofin | | Descriptor: | GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1 | | Authors: | Zhang, Q, Sun, H, Wang, M. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Gold drugs as colistin adjuvants in the fight against MCR-1 producing bacteria.
J.Biol.Inorg.Chem., 28, 2023
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1L8F
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9N0V
 | | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, KFA-027 | | Descriptor: | Capsid protein p24, N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | Authors: | Dinh, T.T, Kvaratskhelia, M. | | Deposit date: | 2025-01-24 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Delineating structural functionalities of Lenacapavir amenable to modifications for targeting emerging drug-resistant HIV-1 capsid variants
To Be Published
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7TC9
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7YJT
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6DHD
 | | Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Smith, T.J. | | Deposit date: | 2018-05-19 | | Release date: | 2018-07-25 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
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4AZB
 | | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
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5DOH
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | | Descriptor: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2015-09-11 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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3LWD
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7TMR
 | | V-ATPase from Saccharomyces cerevisiae, State 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, H(+)-transporting two-sector ATPase, V-type proton ATPase subunit C, ... | | Authors: | Vasanthakumar, T, Keon, K.A, Bueler, S.A, Jaskolka, M.C, Rubinstein, J.L. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-13 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Coordinated conformational changes in the V 1 complex during V-ATPase reversible dissociation.
Nat.Struct.Mol.Biol., 29, 2022
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8TOX
 | | Cryo-EM structure of BG505 Env mutant A517E in complex with antibody ACS202 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Kwong, P.D. | | Deposit date: | 2023-08-04 | | Release date: | 2024-08-14 | | Last modified: | 2025-02-26 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Vaccine-elicited and naturally elicited antibodies differ in their recognition of the HIV-1 fusion peptide.
Front Immunol, 15, 2024
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6G8M
 | | Yeast 20S proteasome in complex with Cystargolide B Derivative 1 | | Descriptor: | (2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Groll, M, Tello-Aburto, R. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-12 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors.
Eur J Med Chem, 157, 2018
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2VCH
 | | Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants | | Descriptor: | 1,2-ETHANEDIOL, HYDROQUINONE GLUCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R. | | Deposit date: | 2007-09-24 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
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6LF4
 | | Crystal structure of VMB-1 bound to hydrolyzed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, VMB-1 metallo-beta-lactamase, ZINC ION | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-11-28 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of VMB-1 bound to hydrolyzed meropenem
To Be Published
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6RV2
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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9JU0
 | | C-terminally truncated dextran dextrinase bound with acarbose | | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CITRIC ACID, ... | | Authors: | Tagami, T, Matsugaki, N, Saburi, W, Okuyama, M, Mori, H. | | Deposit date: | 2024-10-07 | | Release date: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of transglucosylation in dextran dextrinase, a homolog of anomer-inverting GH15 glucoside hydrolases.
J.Biol.Chem., 301, 2025
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5ELN
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5EM7
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5ERG
 | | Crystal structure of the two-subunit tRNA m1A58 methyltransferase TRM6-TRM61 in complex with SAM | | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6 | | Authors: | Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X. | | Deposit date: | 2015-11-14 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
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5EGC
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