4PM6
 
 | | Crystal structure of CTX-M-14 S70G beta-lactamase at 1.56 Angstroms resolution | | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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6U7V
 | | xRRM structure of spPof8 | | Descriptor: | NITRATE ION, Protein pof8 | | Authors: | Kim, J.-K, Hu, X, Yu, C, Jun, H.-I, Liu, J, Sankaran, B, Huang, L, Qiao, F. | | Deposit date: | 2019-09-03 | | Release date: | 2020-09-09 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Quality-Control Mechanism for Telomerase RNA Folding in the Cell.
Cell Rep, 33, 2020
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4ZRU
 | | X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) | | Descriptor: | 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine, Acetylcholine-binding protein, PHOSPHATE ION | | Authors: | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | | Deposit date: | 2015-05-12 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs, and Structural Features of a High-Affinity, Non-selective NNR Ligand-AChBP Co-crystal Structure
To be Published
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3LT1
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2 | | Descriptor: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2010-02-14 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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3LT0
 | | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1 | | Descriptor: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2010-02-14 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition
Iubmb Life, 62, 2010
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6XNS
 | | C3_crown-05 | | Descriptor: | C3_crown-05 | | Authors: | Bick, M.J, Hsia, Y, Sankaran, B, Baker, D. | | Deposit date: | 2020-07-04 | | Release date: | 2020-12-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
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6XA0
 | | Crystal structure of C-As lyase with mutation K105R with Ni(II) | | Descriptor: | Glyoxalase/bleomycin resistance protein/dioxygenase, NICKEL (II) ION | | Authors: | Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The ArsI C-As lyase: Elucidating the catalytic mechanism of degradation of organoarsenicals.
J.Inorg.Biochem., 232, 2022
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6XCK
 | | Crystal structure of C-As lyase with mutation K105E | | Descriptor: | Glyoxalase/bleomycin resistance protein/dioxygenase | | Authors: | Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P. | | Deposit date: | 2020-06-08 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The ArsI C-As lyase: Elucidating the catalytic mechanism of degradation of organoarsenicals.
J.Inorg.Biochem., 232, 2022
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5L33
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | denovo NTF2 | | Authors: | Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-08-03 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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6XT4
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7R6Z
 | | OXA-48 bound by Compound 3.3 | | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | | Deposit date: | 2021-06-24 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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7RSW
 | | Crystal structure of group B human rotavirus VP8* | | Descriptor: | Outer capsid protein VP4, peptide | | Authors: | Hu, L, Salmen, W, Sankaran, B, Prasad, B.V. | | Deposit date: | 2021-08-11 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography.
Commun Biol, 5, 2022
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5WE2
 | | Structural Basis for Telomere Length Regulation by the Shelterin Bridge | | Descriptor: | DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ... | | Authors: | Kim, J.-K, Liu, J, Hu, X, Sankaran, B, Qiao, F. | | Deposit date: | 2017-07-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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7RMY
 | | De Novo designed tunable protein pockets, D_3-337 | | Descriptor: | De Novo designed tunable homodimer, D_3-337 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RMX
 | | Structure of De Novo designed tunable symmetric protein pockets | | Descriptor: | Tunable symmetric protein, D_3_212 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5WE0
 | | Structural Basis for Shelterin Bridge Assembly | | Descriptor: | DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ... | | Authors: | Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F. | | Deposit date: | 2017-07-06 | | Release date: | 2017-12-20 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
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7S7L
 | | Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Coban, M, Raeeszadeh-Sarmazdeh, M, Hockla, A, Sankaran, B, Radisky, E.S. | | Deposit date: | 2021-09-16 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10.
J.Biol.Chem., 298, 2022
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2Q0A
 | | Structure and rearrangements in the carboxy-terminal region of SpIH channels | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Flynn, G.E, Black, K.D, Islas, L.D, Sankaran, B, Zagotta, W.N. | | Deposit date: | 2007-05-21 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and rearrangements in the carboxy-terminal region of SpIH channels.
Structure, 15, 2007
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7S7M
 | | Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | | Descriptor: | CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ... | | Authors: | Coban, M, Raeeszadeh-Sarmazdeh, M, Sankaran, B, Hockla, A, Radisky, E.S. | | Deposit date: | 2021-09-16 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10.
J.Biol.Chem., 298, 2022
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2PTM
 | | Structure and rearrangements in the carboxy-terminal region of SpIH channels | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, COBALT HEXAMMINE(III), Hyperpolarization-activated (Ih) channel | | Authors: | Flynn, G.E, Black, K.D, Islas, L.D, Sankaran, B, Zagotta, W.N. | | Deposit date: | 2007-05-08 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure and rearrangements in the carboxy-terminal region of SpIH channels.
Structure, 15, 2007
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7S5S
 | | CTX-M-15 WT in complex with BLIP WT | | Descriptor: | Beta-lactamase, Beta-lactamase inhibitory protein | | Authors: | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | | Deposit date: | 2021-09-11 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
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7RVO
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 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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7RW1
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7RVP
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI14 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 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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7RVT
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 | | Descriptor: | 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-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: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 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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