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1GA7
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BU of 1ga7 by Molmil
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
2GT4
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BU of 2gt4 by Molmil
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
2GT2
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BU of 2gt2 by Molmil
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
1G0S
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BU of 1g0s by Molmil
THE CRYSTAL STRUCTURE OF THE E.COLI ADP-RIBOSE PYROPHOSPHATASE
Descriptor: 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:2000-10-08
Release date:2001-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family.
Nat.Struct.Biol., 8, 2001
1G9Q
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BU of 1g9q by Molmil
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
1YHL
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BU of 1yhl by Molmil
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
1YHK
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BU of 1yhk by Molmil
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:2024-02-14
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
1YHM
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BU of 1yhm by Molmil
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
2O1C
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BU of 2o1c by Molmil
Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase
Descriptor: PYROPHOSPHATE, SULFATE ION, dATP pyrophosphohydrolase
Authors:Gabelli, S.B, Bianchet, M.A, Amzel, L.M.
Deposit date:2006-11-28
Release date:2007-08-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
2O5W
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BU of 2o5w by Molmil
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
1KHZ
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BU of 1khz by Molmil
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
4OVN
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BU of 4ovn by Molmil
Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain in complex with Calmodulin poised for activation
Descriptor: Calmodulin, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gabelli, S.B, Bianchet, M.A, Boto, A, Jakoncic, J, Tomaselli, G.F, Amzel, L.M.
Deposit date:2013-12-10
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of the NaV1.5 cytoplasmic domain by calmodulin.
Nat Commun, 5, 2014
1RYA
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BU of 1rya by Molmil
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
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
Authors:Gabelli, S.B, Chen, Z.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
5C8L
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BU of 5c8l by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NudF protein, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-25
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
5C7Q
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BU of 5c7q by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-24
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
5C7T
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BU of 5c7t by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase in complex with ADP-ribose
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-24
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
4OVU
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BU of 4ovu by Molmil
Crystal Structure of p110alpha in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2014-01-14
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
4OVV
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BU of 4ovv by Molmil
Crystal Structure of PI3Kalpha in complex with diC4-PIP2
Descriptor: (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M, Amzel, L.M.
Deposit date:2014-01-14
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
Descriptor: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
4IU6
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BU of 4iu6 by Molmil
Human Methionine Aminopeptidase in complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1
Descriptor: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Miller, M, Liu, J, Amzel, L.M.
Deposit date:2013-01-19
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells.
J.Med.Chem., 56, 2013
3NLS
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BU of 3nls by Molmil
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
5SW8
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BU of 5sw8 by Molmil
Crystal structure of PI3Kalpha in complex with fragments 7 and 11
Descriptor: 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SWP
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BU of 5swp by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 6 and 24
Descriptor: 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXD
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BU of 5sxd by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 22
Descriptor: 2-methoxybenzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
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 (3.5 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017

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