8U4F
 
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8U4A
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3AR5
 | | Calcium pump crystal structure with bound TNP-AMP and TG | | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
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8U49
 | | The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Araujo, E.A, Polikarpov, I. | | Deposit date: | 2023-09-10 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
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8UCH
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCG
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8V9I
 | | 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ... | | Authors: | Chen, P.Y.-T, Drennan, C.L. | | Deposit date: | 2023-12-08 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
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6GTB
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211 | | Descriptor: | 1,2-ETHANEDIOL, 17-beta-hydroxysteroid dehydrogenase 14, 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid, ... | | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | Deposit date: | 2018-06-18 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.619 Å) | | Cite: | X-ray Crystallographic Fragment screening and Hit Optimization
To Be Published
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8VFK
 | | Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT) | | Descriptor: | CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION | | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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8VFI
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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5FB9
 | | S1 nuclease from Aspergillus oryzae with unoccupied active site | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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8VFF
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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3B9G
 | | Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | | Authors: | Vandemeulebroucke, A, De Vos, S, Van Holsbeke, E, Steyaert, J, Versees, W. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax.
J.Biol.Chem., 283, 2008
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3AZ7
 | | Crystal structure of Pt/T-HEWL | | Descriptor: | Lysozyme C, PLATINUM (II) ION, SODIUM ION | | Authors: | Abe, S, Tsujimoto, M, Yoneda, K, Ohba, M, Hikage, T, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2011-05-20 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Porous protein crystals as reaction vessels for controlling magnetic properties of nanoparticles
Small, 8, 2012
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5FBF
 | | S1 nuclease from Aspergillus oryzae in complex with two molecules of 2'-deoxycytidine-5'-monophosphate | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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5NCQ
 | | Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP | | Descriptor: | (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, ... | | Authors: | Bublitz, M, Kjellerup, L, O'Hanlon Cohrt, K, Gordon, S, Mortensen, A.L, Clausen, J.D, Pallin, D, Hansen, J.B, Brown, W.D, Fuglsang, A, Winther, A.-M.L. | | Deposit date: | 2017-03-06 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity.
PLoS ONE, 13, 2018
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8W0D
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8W0B
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8W0C
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5NJS
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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6I0C
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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8VNO
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8VNS
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8UZE
 | | Crystal structure of chimeric bat coronavirus BANAL-20-236 RBD complexed with chimeric mouse ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2023-11-15 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Crystal structure of chimeric RBD complexed with chimeric mouse ACE2
To Be Published
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3B7V
 | | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T. | | Deposit date: | 2007-10-31 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
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