3D62
 
 | | Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro | | Descriptor: | 3C-like proteinase, benzyl (2-oxopropyl)carbamate | | Authors: | Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E. | | Deposit date: | 2008-05-18 | | Release date: | 2008-07-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
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3EEU
 | | Structure of the RNA pyrophosphohydrolase BdRppH in complex with Holmium | | Descriptor: | ACETATE ION, CHLORIDE ION, HOLMIUM ATOM, ... | | Authors: | Messing, S.A, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2008-09-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Biological Function of the RNA Pyrophosphohydrolase BdRppH from Bdellovibrio bacteriovorus.
Structure, 17, 2009
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5WM0
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7JUL
 | | Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG) | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | | Deposit date: | 2020-08-20 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
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5W6Z
 | | Crystal structure of the H24W mutant of HsNUDT16 | | Descriptor: | SODIUM ION, U8 snoRNA-decapping enzyme | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-06-18 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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5WJI
 | | Crystal structure of the F61S mutant of HsNUDT16 | | Descriptor: | ACETIC ACID, CHLORIDE ION, SULFATE ION, ... | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-07-23 | | Release date: | 2018-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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5W6X
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5VY2
 | | Crystal structure of the F36A mutant of HsNUDT16 | | Descriptor: | SODIUM ION, U8 snoRNA-decapping enzyme | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-05-24 | | Release date: | 2018-11-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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3EES
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3EF5
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3FFU
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6MBA
 | | Crystal Structure of Human Nav1.4 CTerminal Domain in Complex with apo Calmodulin | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, ... | | Authors: | Yoder, J, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2018-08-29 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Ca2+-dependent regulation of sodium channels NaV1.4 and NaV1.5 is controlled by the post-IQ motif.
Nat Commun, 10, 2019
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3NPE
 | | Structure of VP14 in complex with oxygen | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 9-cis-epoxycarotenoid dioxygenase 1, chloroplastic, ... | | Authors: | Messing, S.A, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2010-06-28 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into maize viviparous14, a key enzyme in the biosynthesis of the phytohormone abscisic acid.
Plant Cell, 22, 2010
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3O6Z
 | | Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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3O69
 | | Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++ | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GDP-mannose pyrophosphatase nudK, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-28 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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3O61
 | | Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with GDP-mannose and Mg++ | | Descriptor: | CHLORIDE ION, GDP-mannose pyrophosphatase nudK, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-28 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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6NCI
 | | Crystal structure of CDP-Chase: Vector data collection | | Descriptor: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6NCT
 | | Structure of p110alpha/niSH2 - vector data collection | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | | Authors: | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2018-12-12 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6NCK
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | | Descriptor: | COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Miller, M.S, Maheshwari, S, Gabelli, S.B. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6NCH
 | | Crystal structure of CDP-Chase: Raster data collection | | Descriptor: | D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ... | | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6MC9
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3O52
 | | Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate | | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-27 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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3Q4I
 | | Crystal structure of CDP-Chase in complex with Gd3+ | | Descriptor: | GADOLINIUM ION, Phosphohydrolase (MutT/nudix family protein) | | Authors: | Duong-Ly, K.C, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2010-12-23 | | Release date: | 2011-07-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic Activities.
J.Bacteriol., 193, 2011
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3ID0
 | | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 3-Fluoro-1-(2-hydroxy-2,2-bisphosphono-ethyl)pyridinium | | Descriptor: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | | Deposit date: | 2009-07-19 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
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3ICZ
 | | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ... | | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | | Deposit date: | 2009-07-19 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
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