7TGD
 
 | | [T:Ag+/Hg2+:T--(pH8.5-pH11; 300s in metals)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8.5 and soaked in pH 11 with Ag+ and Hg2+ for 300s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (5.25 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
|
|
7TGC
 | | [T:Ag+/Hg2+:T--(pH8.5-pH11; 90s in metals)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8.5 and soaked in pH 11 with Ag+ and Hg2+ for 90s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (5.19 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
|
|
7TG9
 | | [T:Ag+/Hg2+:T--(pH11-pH7; 300s in metals)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 with Ag+ and Hg2+ for 300s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (4.69 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
|
|
7TGB
 | | [T:Ag+/Hg2+:T--(pH8.5-pH11; 60s in metals)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8.5 and soaked in pH 11 with Ag+ and Hg2+ for 60s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (5.36 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
|
|
7TGA
 | | [T:Ag+/Hg2+:T--(pH8.5-pH11; 30s in metals)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8.5 and soaked in pH 11 with Ag+ and Hg2+ for 30s | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (6.61 Å) | | Cite: | Crystallographic pH Titration of Silver and Mercury Mediated DNA Base Pairs
To Be Published
|
|
4Z85
 | |
4CJN
 | | Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand | | Descriptor: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | | Deposit date: | 2013-12-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
|
|
7VDO
 | | Crystal structure of KRED F147L/L153Q/Y190P variant | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-09-07 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85571563 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
|
|
7VE7
 | | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.720007 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
|
|
7XEY
 | | EDS1-PAD4 complexed with pRib-ADP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-beta-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Huang, S, Jia, A, Xiao, Y. | | Deposit date: | 2022-03-31 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
|
|
7XDD
 | | Cryo-EM structure of EDS1 and PAD4 | | Descriptor: | Lipase-like PAD4, Protein EDS1 | | Authors: | Huang, S.J, Jia, A.L, Sun, Y, Han, Z.F, Chai, J.J. | | Deposit date: | 2022-03-26 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Identification and receptor mechanism of TIR-catalyzed small molecules in plant immunity.
Science, 377, 2022
|
|
3L84
 | | High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168 | | Descriptor: | ACETATE ION, GLYCEROL, Transketolase | | Authors: | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-12-29 | | Release date: | 2010-02-09 | | Last modified: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
|
|
5KU6
 | | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-07-12 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
|
|
5ZC3
 | | The Crystal Structure of PcRxLR12 | | Descriptor: | RxLR effector | | Authors: | Zhao, L, Zhang, X, Zhu, C. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-15 | | Last modified: | 2018-09-12 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Crystal structure of the RxLR effector PcRxLR12 from Phytophthora capsici
Biochem. Biophys. Res. Commun., 503, 2018
|
|
3ICC
 | | Crystal structure of a putative 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis at 1.87 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cymborowski, M, Luo, H.-B, Skarina, T, Gordon, S, Savchenko, A, Edwards, A.M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-07-17 | | Release date: | 2009-07-28 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of a short-chain dehydrogenase/reductase from Bacillus anthracis.
Acta Crystallogr.,Sect.F, 68, 2012
|
|
3IJW
 | | Crystal structure of BA2930 in complex with CoA | | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-08-05 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
|
|
5DLP
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | Authors: | Dym, O. | | Deposit date: | 2015-09-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
|
|
7DRN
 | | Structure of ATP-grasp ligase PsnB complexed with precursor peptide PsnA2 and AMPPNP | | Descriptor: | ATP-grasp domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PsnA214-38, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
|
|
7DRP
 | | Structure of ATP-grasp ligase PsnB complexed with phosphomimetic variant of minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
|
|
7DRO
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor | | Descriptor: | ATP-grasp domain-containing protein, PsnA214-38, Precursor peptide | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
|
|
7DRM
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
|
|
5E4J
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-06 | | Release date: | 2016-03-30 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
|
|
3OP4
 | | Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with NADP+ | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hou, J, Chruszcz, M, Onopriyenko, O, Grimshaw, S, Porebski, P, Zheng, H, Savchenko, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
|
|
5E2I
 | | Acetylcholinesterase Methylene Blue no PEG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-01 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
|
|
5E4T
 | | Acetylcholinesterase Methylene Blue with PEG | | Descriptor: | 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | | Authors: | Dym, O. | | Deposit date: | 2015-10-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
|
|
