6PJ3
 
 | | Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex | | Descriptor: | 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ... | | Authors: | Cho, J, Zhou, P. | | Deposit date: | 2019-06-27 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8QK5
 | | Structure of K. pneumoniae LpxH in complex with EBL-3647 | | Descriptor: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK2
 | | Structure of K.pneumoniae LpxH in complex with EBL-3339 | | Descriptor: | MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QJZ
 | | Crystal structure of E. coli LpxH in complex with lipid X | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QKA
 | | Structure of K. pneumoniae LpxH in complex with JEDI-852 | | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK9
 | | Structure of E. coli LpxH in complex with JEDI-1444 | | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6UNC
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6UUQ
 | | Structure of Calcineurin bound to RCAN1 | | Descriptor: | Calcipressin-1, FE (III) ION, PHOSPHATE ION, ... | | Authors: | Sheftic, S, Page, R, Peti, W. | | Deposit date: | 2019-10-31 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin.
Sci Adv, 6, 2020
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5EQV
 | | 1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-MALATE, FE (III) ION, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-13 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 Angstrom Crystal Structure of Bifunctional 2',3'-cyclic Nucleotide 2'-phosphodiesterase/3'-Nucleotidase Periplasmic Precursor Protein from Yersinia pestis with Phosphate bound to the Active site.
To Be Published
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4J6O
 | | Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP | | Descriptor: | CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Wang, L, Smith, P, Shuman, S. | | Deposit date: | 2013-02-11 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
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1SU1
 | | Structural and biochemical characterization of Yfce, a phosphoesterase from E. coli | | Descriptor: | Hypothetical protein yfcE, SULFATE ION, ZINC ION | | Authors: | Miller, D.J, Shuvalova, L, Evdokimova, E, Savchenko, A, Yakunin, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-03-25 | | Release date: | 2004-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and biochemical characterization of a novel Mn2+-dependent phosphodiesterase encoded by the yfcE gene.
Protein Sci., 16, 2007
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1S3M
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, NICKEL (II) ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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1S3N
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, MANGANESE (II) ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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1S3L
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, PHOSPHATE ION, UNKNOWN ATOM OR ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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1T71
 | | Crystal structure of a novel phosphatase Mycoplasma pneumoniaefrom | | Descriptor: | FE (III) ION, phosphatase | | Authors: | Shin, D.H, Jancarik, J, Kim, R, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-05-07 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a novel phosphatase from Mycoplasma pneumoniae
To be Published
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1UTE
 | | PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, MU-OXO-DIIRON, ... | | Authors: | Guddat, L.W, Mcalpine, A, Hume, D, Hamilton, S, De Jersey, J, Martin, J.L. | | Deposit date: | 1999-01-18 | | Release date: | 1999-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of mammalian purple acid phosphatase.
Structure Fold.Des., 7, 1999
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1V73
 | | Crystal Structure of Cold-Active Protein-Tyrosine Phosphatase of a Psychrophile Shewanella SP. | | Descriptor: | ACETIC ACID, CALCIUM ION, psychrophilic phosphatase I | | Authors: | Tsuruta, H, Mikami, B, Aizono, Y. | | Deposit date: | 2003-12-09 | | Release date: | 2005-03-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of Cold-Active Protein-Tyrosine Phosphatase from a Psychrophile, Shewanella sp
J.Biochem.(Tokyo), 137, 2005
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1T70
 | | Crystal structure of a novel phosphatase from Deinococcus radiodurans | | Descriptor: | Phosphatase | | Authors: | Shin, D.H, Wang, W, Kim, R, Yokota, H, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-05-07 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and enzymatic characterization of DR1281: A calcineurin-like phosphoesterase from Deinococcus radiodurans.
Proteins, 70, 2008
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1WAR
 | | Recombinant Human Purple Acid Phosphatase expressed in Pichia Pastoris | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HUMAN PURPLE ACID PHOSPHATASE, ... | | Authors: | Duff, A.P, Langley, D.B, Han, R, Averill, B.A, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-10-28 | | Release date: | 2005-07-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop.
J.Mol.Biol., 351, 2005
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5IHE
 | | D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ... | | Authors: | Sauguet, L, Raia, P, De Larue, M. | | Deposit date: | 2016-02-29 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
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3D03
 | | 1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes | | Descriptor: | COBALT (II) ION, Phosphohydrolase | | Authors: | Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G. | | Deposit date: | 2008-04-30 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
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3GVE
 | | Crystal structure of calcineurin-like phosphoesterase YfkN from Bacillus subtilis | | Descriptor: | CITRIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Kim, Y, Marshall, N, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-03-30 | | Release date: | 2009-04-28 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of Calcineurin-like Phosphoesterase from Bacillus subtilis
To be Published
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7OV3
 | | Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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7OV2
 | | Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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7OV8
 | | Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | | Deposit date: | 2021-06-14 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
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