4LV2
 
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4LV1
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4LV3
 | | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | | Descriptor: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | London, N, Eidam, O, Shoichet, B.K. | | Deposit date: | 2013-07-25 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
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4NBI
 | | D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution | | Descriptor: | 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL | | Authors: | Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
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4NBJ
 | | D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 2.20 Angstrom resolution | | Descriptor: | 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase | | Authors: | Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
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4NM3
 | | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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4NU1
 | | Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ... | | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | Deposit date: | 2013-12-03 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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4OGR
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6S8M
 | | S. pombe microtubule decorated with Cut7 motor domain in the AMPPNP state | | Descriptor: | 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Moores, C.A, von Loeffelholz, O. | | Deposit date: | 2019-07-10 | | Release date: | 2019-08-21 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM Structure (4.5- angstrom ) of Yeast Kinesin-5-Microtubule Complex Reveals a Distinct Binding Footprint and Mechanism of Drug Resistance.
J.Mol.Biol., 431, 2019
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5VXN
 | | Structure of two RcsB dimers bound to two parallel DNAs. | | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*A)-3'), Transcriptional regulatory protein RcsB | | Authors: | Filippova, E.V, Minasov, G, Pshenychnyi, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-05-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.375 Å) | | Cite: | Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.
MBio, 9, 2018
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5W43
 | | Structure of the two-component response regulator RcsB-DNA complex | | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*TP*C)-3'), Transcriptional regulatory protein RcsB | | Authors: | Filippova, E.V, Warwzak, Z, Pshenychnyi, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-06-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.
MBio, 9, 2018
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4JTA
 | | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | Authors: | MacKinnon, R, Banerjee, A, Lee, A, Campbell, E. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-12 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
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4JTD
 | | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-12 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
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4JTC
 | | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+ | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-12 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
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4XJO
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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4XJP
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
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7EL2
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7EL3
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8F6M
 | | Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex. | | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ... | | Authors: | Holyoak, T, Fenton, A.W. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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6Y75
 | | BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A) | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, NAD(P)(+)--arginine ADP-ribosyltransferase, ... | | Authors: | Ilari, A, Chiarini, V. | | Deposit date: | 2020-02-28 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
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8F5U
 | | Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Holyoak, T, Fenton, A.W. | | Deposit date: | 2022-11-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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8F5T
 | | Rabbit muscle pyruvate kinase in complex with sodium and magnesium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Holyoak, T, Fenton, A.W. | | Deposit date: | 2022-11-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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6YRD
 | | SFX structure of dye-type peroxidase DtpB in the ferryl state | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6YRC
 | | Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6YR4
 | | Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-19 | | Release date: | 2021-01-13 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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