6HQX
 
 | | Human Carbonic Anhydrase II in complex with 4-Ethylbenzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.097 Å) | | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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7P7N
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7P7O
 | | X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS | | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | | Authors: | Mazzei, L, Ciurli, S, Cianci, M, Messori, L, Massai, L. | | Deposit date: | 2021-07-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition.
Dalton Trans, 50, 2021
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7PMN
 | | S. cerevisiae replisome-SCF(Dia2) complex bound to double-stranded DNA (conformation II) | | Descriptor: | Cell division control protein 45,Cell division control protein 45, Chromosome segregation in meiosis protein 3, DNA polymerase alpha-binding protein, ... | | Authors: | Jenkyn-Bedford, M, Yeeles, J.T.P, Deegan, T.D. | | Deposit date: | 2021-09-02 | | Release date: | 2021-11-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A conserved mechanism for regulating replisome disassembly in eukaryotes.
Nature, 600, 2021
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8G82
 | | Vancomycin bound to D-Ala-D-Ser | | Descriptor: | BORIC ACID, D-Ala-D-Ser, DIMETHYL SULFOXIDE, ... | | Authors: | Loll, P.J, Park, J.H. | | Deposit date: | 2023-02-17 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of vancomycin bound to the resistance determinant D-alanine-D-serine.
Iucrj, 11, 2024
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6QMJ
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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1KJI
 | | Crystal structure of glycinamide ribonucleotide transformylase in complex with Mg-AMPPCP | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M. | | Deposit date: | 2001-12-04 | | Release date: | 2002-06-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
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1KJ9
 | | Crystal structure of purt-encoded glycinamide ribonucleotide transformylase complexed with Mg-ATP | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M. | | Deposit date: | 2001-12-04 | | Release date: | 2002-06-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
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1KJ8
 | | Crystal Structure of PurT-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-ATP and GAR | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M. | | Deposit date: | 2001-12-04 | | Release date: | 2002-06-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site.
J.Biol.Chem., 277, 2002
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8HJ9
 | | cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP | | Descriptor: | Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wakabayashi, T, Oide, M, Kato, T, Nakasako, M. | | Deposit date: | 2022-11-22 | | Release date: | 2023-02-08 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
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7APW
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | | Deposit date: | 2020-10-20 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
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7TU6
 | | Structure of the L. blandensis dGTPase bound to dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, dGTP triphosphohydrolase | | Authors: | Klemm, B.P, Sikkema, A.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
J.Biol.Chem., 298, 2022
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7TU7
 | | Structure of the L. blandensis dGTPase H125A mutant bound to dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, dGTP triphosphohydrolase | | Authors: | Klemm, B.P, Sikkema, A.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
J.Biol.Chem., 298, 2022
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7TU8
 | | Structure of the L. blandensis dGTPase H125A mutant bound to dGTP and dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klemm, B.P, Sikkema, A.P, Hsu, A.L, Borgnia, M.J, Schaaper, R.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
J.Biol.Chem., 298, 2022
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1A95
 | | XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE | | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, GUANINE, ... | | Authors: | Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. | | Deposit date: | 1998-04-16 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
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1A9X
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2KAU
 | | THE CRYSTAL STRUCTURE OF UREASE FROM KLEBSIELLA AEROGENES AT 2.2 ANGSTROMS RESOLUTION | | Descriptor: | NICKEL (II) ION, UREASE (ALPHA CHAIN), UREASE (BETA CHAIN), ... | | Authors: | Jabri, E, Carr, M.B, Hausinger, R.P, Karplus, P.A. | | Deposit date: | 1995-02-16 | | Release date: | 1995-07-10 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of urease from Klebsiella aerogenes.
Science, 268, 1995
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8BHV
 | | DNA-PK XLF mediated dimer bound to PAXX | | Descriptor: | DNA (24-MER), DNA (26-MER), DNA (27-MER), ... | | Authors: | Hardwick, S.W, Chaplin, A.K. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.51 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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8BHY
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8BH3
 | | DNA-PK Ku80 mediated dimer bound to PAXX | | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | | Authors: | Hardwick, S.W, Chaplin, A.K. | | Deposit date: | 2022-10-28 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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6SPQ
 | | Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with methionine | | Descriptor: | CITRIC ACID, GLYCEROL, METHIONINE, ... | | Authors: | Nigro, G, Schmitt, E, Mechulam, Y. | | Deposit date: | 2019-09-02 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
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1HQP
 | | CRYSTAL STRUCTURE OF A TRUNCATED FORM OF PORCINE ODORANT-BINDING PROTEIN | | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, ODORANT-BINDING PROTEIN | | Authors: | Perduca, M, Mancia, F, Del Giorgio, R, Monaco, H.L. | | Deposit date: | 2000-12-19 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a truncated form of porcine odorant-binding protein.
Proteins, 42, 2001
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6SPR
 | | Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with beta-methionine | | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, GLYCEROL, ... | | Authors: | Nigro, G, Schmitt, E, Mechulam, Y. | | Deposit date: | 2019-09-02 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
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2GNW
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3KT3
 | | Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with TrpAMP | | Descriptor: | SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase, ... | | Authors: | Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
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