7MEQ
 
 | | Crystal structure of human TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ... | | Authors: | Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-04-07 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
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5JR5
 | | RHCC in Complex with Elemental Sulfur | | Descriptor: | SULFATE ION, Tetrabrachion, octathiocane | | Authors: | McDougall, M, Meier, M, Stetefeld, J. | | Deposit date: | 2016-05-05 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.
Proteins, 85, 2017
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5W4N
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5VY1
 | | Crystal structure of the extended Tudor domain from BmPAPI | | Descriptor: | Tudor and KH domain-containing protein homolog | | Authors: | Hubbard, P.A, Pan, X, McNally, R, Ohtaki, A, Honda, S, Kirino, Y, Murali, R. | | Deposit date: | 2017-05-24 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis
To Be Published
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5JQ0
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 | | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | Deposit date: | 2016-05-04 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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5VQH
 | | Crystal structure of the extended Tudor domain from BmPAPI in complex with sDMA | | Descriptor: | N3, N4-DIMETHYLARGININE, Tudor and KH domain-containing protein homolog | | Authors: | Hubbard, P.A, Pan, X, Ohtaki, A, McNally, R, Honda, S, Kirino, Y, Murali, R. | | Deposit date: | 2017-05-08 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis
To Be Published
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5JUH
 | | Crystal structure of C-terminal domain (RV) of MpAFP | | Descriptor: | Antifreeze protein, CALCIUM ION | | Authors: | Guo, S. | | Deposit date: | 2016-05-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
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5VVM
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5WEY
 | | Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | | Deposit date: | 2017-07-11 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.
Biochemistry, 56, 2017
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5WP0
 | | Crystal structure of NAD synthetase NadE from Vibrio fischeri | | Descriptor: | NH(3)-dependent NAD(+) synthetase | | Authors: | Stogios, P.J, Evdokimova, E, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-08-03 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of NAD synthetase NadE from Vibrio fischeri
To Be Published
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7MWA
 | | Crystal structure of 2-octaprenyl-6-methoxyphenol hydroxylase UbiH from Acinetobacter baumannii, apoenzyme | | Descriptor: | 1,2-ETHANEDIOL, 2-polyprenyl-6-methoxyphenol 4-hydroxylase, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-16 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | UbiH from Acinetobacter baumannii
To Be Published
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5XXG
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5XYH
 | | Crystal Structure of catalytic domain of 1,4-beta-Cellobiosidase (CbsA) from Xanthomonas oryzae pv. oryzae | | Descriptor: | CbsA | | Authors: | Kumar, S, Haque, A.S, Nathawat, R, Sankaranaryanan, R. | | Deposit date: | 2017-07-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.864 Å) | | Cite: | A mutation in an exoglucanase of Xanthomonas oryzae pv. oryzae, which confers an endo mode of activity, affects bacterial virulence, but not the induction of immune responses, in rice
Mol. Plant Pathol., 19, 2018
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5XYO
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122G mutant | | Descriptor: | CHLORIDE ION, Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, ... | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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5Y1T
 | | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,3-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | | Descriptor: | (2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | | Deposit date: | 2017-07-21 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization
Chin.Chem.Lett., 33, 2022
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1Y7A
 | | Structure of D153H/K328W E. coli alkaline phosphatase in presence of cobalt at 1.77 A resolution | | Descriptor: | Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Wang, J, Stieglitz, K, Kantrowitz, E.R. | | Deposit date: | 2004-12-08 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,).
Biochemistry, 44, 2005
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5XYT
 | | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., H130Y mutant | | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, SULFATE ION | | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | | Deposit date: | 2017-07-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase
Sci Rep, 8, 2018
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5Y6H
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1ZUM
 | | Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, Apo Form | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ... | | Authors: | Larson, H.N, Weiner, H, Hurley, T.D. | | Deposit date: | 2005-05-31 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Disruption of the coenzyme binding site and dimer interface revealed in the crystal structure of mitochondrial aldehyde dehydrogenase "asian" variant
J.Biol.Chem., 280, 2005
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5ZI7
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7DEL
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Mima, M, Ushiyama, F, Tanaka-Yamamoto, N. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532.
Bioorg.Med.Chem., 30, 2020
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7DEM
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Mima, M, Ushiyama, F, Matsuda, Y. | | Deposit date: | 2020-11-04 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532.
Bioorg.Med.Chem., 30, 2020
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5YXF
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1ZNS
 | | Crystal structure of N-ColE7/12-bp DNA/Zn complex | | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3', Colicin E7, ZINC ION | | Authors: | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | | Deposit date: | 2005-05-12 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+
Protein Sci., 15, 2006
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7D83
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | | Descriptor: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | | Authors: | Sugiyama, S, Sekiguchi, Y. | | Deposit date: | 2020-10-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
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