4OVN
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![BU of 4ovn by Molmil](/molmil-images/mine/4ovn) | 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
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4OVU
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![BU of 4ovu by Molmil](/molmil-images/mine/4ovu) | 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
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4OVV
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![BU of 4ovv by Molmil](/molmil-images/mine/4ovv) | 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
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7U1C
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![BU of 7u1c by Molmil](/molmil-images/mine/7u1c) | 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
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1KHZ
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![BU of 1khz by Molmil](/molmil-images/mine/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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1RYA
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![BU of 1rya by Molmil](/molmil-images/mine/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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2O5W
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![BU of 2o5w by Molmil](/molmil-images/mine/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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2O1C
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![BU of 2o1c by Molmil](/molmil-images/mine/2o1c) | |
2GT4
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![BU of 2gt4 by Molmil](/molmil-images/mine/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
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![BU of 2gt2 by Molmil](/molmil-images/mine/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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4IU6
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![BU of 4iu6 by Molmil](/molmil-images/mine/4iu6) | 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
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5C7T
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![BU of 5c7t by Molmil](/molmil-images/mine/5c7t) | 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
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5C7Q
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![BU of 5c7q by Molmil](/molmil-images/mine/5c7q) | 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
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5C8L
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![BU of 5c8l by Molmil](/molmil-images/mine/5c8l) | 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
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1GA7
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![BU of 1ga7 by Molmil](/molmil-images/mine/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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4HXX
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![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | 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
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1YHM
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![BU of 1yhm by Molmil](/molmil-images/mine/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
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![BU of 1yhl by Molmil](/molmil-images/mine/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
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![BU of 1yhk by Molmil](/molmil-images/mine/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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1G0S
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![BU of 1g0s by Molmil](/molmil-images/mine/1g0s) | |
1G9Q
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![BU of 1g9q by Molmil](/molmil-images/mine/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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3NLS
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![BU of 3nls by Molmil](/molmil-images/mine/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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5SW8
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![BU of 5sw8 by Molmil](/molmil-images/mine/5sw8) | 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
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5SWO
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![BU of 5swo by Molmil](/molmil-images/mine/5swo) | Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 | Descriptor: | 2-methyl-5-nitro-1H-indole, 4-methyl-3-nitropyridin-2-amine, CHLORIDE ION, ... | 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 (3.5 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SWG
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![BU of 5swg by Molmil](/molmil-images/mine/5swg) | Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 | Descriptor: | 1H-benzimidazol-2-amine, CATECHOL, 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 (3.11 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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