6BDL
 
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6BG2
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6C0T
 | | Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, TRIETHYLENE GLYCOL, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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6C0U
 | | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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6BX8
 | | Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) | | Descriptor: | SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3 | | Authors: | Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S. | | Deposit date: | 2017-12-18 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
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6C89
 | | NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Palzkill, T, Sun, Z, Sankaran, B. | | Deposit date: | 2018-01-24 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75006151 Å) | | Cite: | Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics.
Nat Commun, 9, 2018
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7V04
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-05-09 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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7UON
 | | CTX-M-14 Y105W mutant | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2022-04-13 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase.
Commun Biol, 6, 2023
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6W92
 | | Human UHRF1 TTD domain | | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | | Authors: | Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. | | Deposit date: | 2020-03-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
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6VTX
 | | Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | | Deposit date: | 2020-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
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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8CTF
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-05-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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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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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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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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5TPH
 | | Crystal structure of a de novo designed protein homodimer with curved beta-sheet | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer | | Authors: | Basanta, B, Marcos, E, Oberdorfer, G, 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 (2.47 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5TS4
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | DI(HYDROXYETHYL)ETHER, denovo NTF2 | | Authors: | Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5U35
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ... | | Authors: | Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D. | | Deposit date: | 2016-12-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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4S2L
 | | Crystal Structure of OXA-163 beta-lactamase | | Descriptor: | Beta-lactamase, SODIUM ION | | Authors: | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | | Deposit date: | 2015-01-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
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6CWV
 | | Protein Tyrosine Phosphatase 1B A122S mutant | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M. | | Deposit date: | 2018-03-31 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98002291 Å) | | Cite: | Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
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6CYQ
 | | Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime | | Descriptor: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CWU
 | | Protein Tyrosine Phosphatase 1B F135Y mutant | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M. | | Deposit date: | 2018-03-31 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
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6CYN
 | | CTX-M-14 N106S/D240G mutant | | Descriptor: | Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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6CYK
 | | CTX-M-14 N106S mutant | | Descriptor: | ACETATE ION, Beta-lactamase | | Authors: | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2018-04-06 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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