5SXI
 
 | | Crystal Structure of PI3Kalpha in complex with fragment 13 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, trans-cyclohexane-1,4-diol | | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | Deposit date: | 2016-08-09 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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2O5W
 | | Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase in complex with Sm+3 and pyrophosphate | | Descriptor: | PYROPHOSPHATE, SAMARIUM (III) ION, SODIUM ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2006-12-06 | | Release date: | 2007-08-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
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2GT4
 | | Crystal Structure of the Y103F mutant of the GDP-mannose mannosyl hydrolase in complex with GDP-mannose and MG+2 | | Descriptor: | GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, Mildvan, A.S, Amzel, L.A. | | Deposit date: | 2006-04-27 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction.
Biochemistry, 45, 2006
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2GT2
 | | Structure of the E. coli GDP-mannose mannosyl hydrolase | | Descriptor: | GDP-mannose mannosyl hydrolase | | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, MIldvan, A.S, Amzel, L.M. | | Deposit date: | 2006-04-27 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction.
Biochemistry, 45, 2006
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1RYA
 | | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | | Deposit date: | 2003-12-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus.
Structure, 12, 2004
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2O1C
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1YHM
 | | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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1YHL
 | | Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and mg+2 | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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1YHK
 | | Trypanosoma cruzi farnesyl diphosphate synthase | | Descriptor: | SULFATE ION, farnesyl pyrophosphate synthase | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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3NLS
 | | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2010-06-21 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772
To be Published
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1GA7
 | | CRYSTAL STRUCTURE OF THE ADP-RIBOSE PYROPHOSPHATASE IN COMPLEX WITH GD+3 | | Descriptor: | GADOLINIUM ION, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION | | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | | Deposit date: | 2000-11-29 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family.
Nat.Struct.Biol., 8, 2001
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1KHZ
 | | Structure of the ADPR-ase in complex with AMPCPR and Mg | | Descriptor: | ADP-ribose pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, CHLORIDE ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | | Deposit date: | 2001-12-01 | | Release date: | 2002-10-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mechanism of the Escherichia coli ADP-ribose pyrophosphatase, a Nudix hydrolase.
Biochemistry, 41, 2002
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1G0S
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1G9Q
 | | COMPLEX STRUCTURE OF THE ADPR-ASE AND ITS SUBSTRATE ADP-RIBOSE | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION | | Authors: | Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M. | | Deposit date: | 2000-11-27 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family.
Nat.Struct.Biol., 8, 2001
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2M1M
 | | Solution structure of the PsIAA4 oligomerization domain reveals interaction modes for transcription factors in early auxin response | | Descriptor: | Auxin-induced protein IAA4 | | Authors: | Kovermann, M, Dinesh, D.C, Gopalswamy, M, Abel, S, Balbach, J. | | Deposit date: | 2012-12-03 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the PsIAA4 oligomerization domain reveals interaction modes for transcription factors in early auxin response.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6D7N
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6D7M
 | | Crystal structure of the W184R/W231R Importin alpha mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peroxidase,Importin subunit alpha-1, ... | | Authors: | Pedersen, L.C, London, R.E, Gabel, S.A. | | Deposit date: | 2018-04-25 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Variations in nuclear localization strategies among pol X family enzymes.
Traffic, 2018
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7R63
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6O9B
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6O9C
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7STF
 | | Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | | Authors: | Wright, K.M, Gabelli, S.B, Miller, M. | | Deposit date: | 2021-11-12 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
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8FBY
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8FCF
 | | Crystal structure of PLVAP CC1 in I212121 space group | | Descriptor: | Plasmalemma vesicle-associated protein | | Authors: | Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J. | | Deposit date: | 2022-12-01 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae.
Proc.Natl.Acad.Sci.USA, 120, 2023
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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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