5BW2
 
 | | X-ray crystal structure of Aplysia californica acetylcholine binding protein (Ac-AChBP) Y55W in complex with 2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane; 2-(3-pyridyl)quinuclidine; 2-PQ (TI-4699) | | Descriptor: | (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane, Soluble acetylcholine receptor | | Authors: | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | | Deposit date: | 2015-06-05 | | Release date: | 2015-06-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
To Be Published
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3OF1
 | | Crystal Structure of Bcy1, the Yeast Regulatory Subunit of PKA | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase regulatory subunit | | Authors: | Rinaldi, J, Wu, J, Yang, J, Ralston, C.Y, Sankaran, B, Moreno, S, Taylor, S.S. | | Deposit date: | 2010-08-13 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of Yeast Regulatory Subunit: A Glimpse into the Evolution of PKA Signaling.
Structure, 18, 2010
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5C67
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4E6U
 | | Structure of LpxA from Acinetobacter baumannii at 1.4A resolution (P63 form) | | Descriptor: | 1,2-ETHANEDIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION | | Authors: | Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V. | | Deposit date: | 2012-03-16 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure determination of LpxA from the lipopolysaccharide-synthesis pathway of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 68, 2012
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4WV9
 | | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane | | Descriptor: | (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Bobango, J, Wu, J.M, Sankaran, B. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound.
To Be Published
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5BV6
 | | PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP | | Descriptor: | ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ... | | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | | Deposit date: | 2015-06-04 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
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4E79
 | | Structure of LpxD from Acinetobacter baumannii at 2.66A resolution (P4322 form) | | Descriptor: | UDP-3-O-acylglucosamine N-acyltransferase | | Authors: | Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V. | | Deposit date: | 2012-03-16 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structure determination of LpxD from the lipopolysaccharide-synthesis pathway of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 69, 2013
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5TWD
 | | CTX-M-14 P167S apoenzyme | | Descriptor: | Beta-lactamase | | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2016-11-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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5TRV
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | DI(HYDROXYETHYL)ETHER, denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5C6X
 | | Crystal structure of C-As lyase with Co(II) | | Descriptor: | COBALT (II) ION, GLYCEROL, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2015-06-23 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of C-As lyase with Co(II)
To Be Published
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5CB9
 | | Crystal structure of C-As lyase with mercaptoethonal | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2015-06-30 | | Release date: | 2016-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of C-As lyase with mercaptoethonal
To Be Published
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5TW6
 | | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | | Descriptor: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2016-11-11 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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5U53
 | | CTX-M-14 E166A with acylated ceftazidime molecule | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2016-12-06 | | Release date: | 2017-06-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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5TPJ
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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7JH5
 | | Co-LOCKR: de novo designed protein switch | | Descriptor: | Co-LOCKR: de novo designed protein switch | | Authors: | Bick, M.J, Lajoie, M.J, Boyken, S.E, Sankaran, B, Baker, D. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Designed protein logic to target cells with precise combinations of surface antigens.
Science, 369, 2020
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3HVX
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5BP0
 | | X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-fluoronicotine, Acetylcholine-binding protein, ... | | Authors: | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
To Be Published
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6UVK
 | | OXA-48 bound by inhibitor CDD-97 | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | | Deposit date: | 2019-11-02 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
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5TWE
 | | CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2016-11-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
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6V7T
 | | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-09 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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5D4F
 | | Crystal structure of C-As lyase with Fe(III) | | Descriptor: | CHLORIDE ION, FE (III) ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2015-08-07 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of C-As lyase with mercaptoethonal
To Be Published
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4E75
 | | Structure of LpxD from Acinetobacter baumannii at 2.85A resolution (P21 form) | | Descriptor: | UDP-3-O-acylglucosamine N-acyltransferase | | Authors: | Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V. | | Deposit date: | 2012-03-16 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure determination of LpxD from the lipopolysaccharide-synthesis pathway of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 69, 2013
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5V0F
 | | Crystal structure of C-As lyase with mutation K105A and substrate Roxarsone | | Descriptor: | 4-arsanyl-2-nitrophenol, CHLORIDE ION, FE (III) ION, ... | | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | Deposit date: | 2017-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of C-As lyase with mutation K105A and substrate Roxarsone.
To Be Published
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4ZOR
 | | The structure of the S37P MS2 viral capsid assembly. | | Descriptor: | Coat protein, PHOSPHATE ION | | Authors: | Asensio, M.A, Sankaran, B, Zwart, P.H, Tullman-Ercek, D. | | Deposit date: | 2015-05-06 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Selection for Assembly Reveals That a Single Amino Acid Mutant of the Bacteriophage MS2 Coat Protein Forms a Smaller Virus-like Particle.
Nano Lett., 16, 2016
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7RVU
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI21 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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