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6NVO
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BU of 6nvo by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
Descriptor: MANGANESE (II) ION, Nuclease MPE
Authors:Goldgur, Y, Shuman, S, Ejaz, A.
Deposit date:2019-02-05
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
6PIB
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BU of 6pib by Molmil
Structure of the Klebsiella pneumoniae LpxH-AZ1 complex
Descriptor: 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
4O24
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BU of 4o24 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-16
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4NZV
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BU of 4nzv by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: Exonuclease, putative, MANGANESE (II) ION
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-12
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
6PH9
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BU of 6ph9 by Molmil
Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-25
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PJ3
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BU of 6pj3 by Molmil
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
4O4K
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BU of 4o4k by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ...
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-18
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4O43
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BU of 4o43 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-18
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4O5G
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BU of 4o5g by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-19
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
3C9F
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BU of 3c9f by Molmil
Crystal structure of 5'-nucleotidase from Candida albicans SC5314
Descriptor: 5'-nucleotidase, FORMIC ACID, SODIUM ION, ...
Authors:Patskovsky, Y, Romero, R, Gilmore, M, Eberle, M, Bain, K, Smith, D, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-15
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of 5'-nucleotidase from Candida albicans.
To be Published
3D03
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BU of 3d03 by Molmil
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
3DSD
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BU of 3dsd by Molmil
Crystal structure of P. furiosus Mre11-H85S bound to a branched DNA and manganese
Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DAP*DCP*DAP*DAP*DGP*DCP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DGP*DTP*DGP*DGP*DAP*DTP*DA)-3'), DNA double-strand break repair protein mre11, MANGANESE (II) ION
Authors:Williams, R.S, Moiani, D, Tainer, J.A.
Deposit date:2008-07-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
Cell(Cambridge,Mass.), 135, 2008
3DSC
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BU of 3dsc by Molmil
Crystal structure of P. furiosus Mre11 DNA synaptic complex
Descriptor: DNA (5'-D(P*DCP*DAP*DCP*DAP*DAP*DGP*DCP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DGP*DTP*DGP*DAP*DC)-3'), DNA double-strand break repair protein mre11
Authors:Williams, R.S, Moncalian, G, Shin, D.S, Tainer, J.A.
Deposit date:2008-07-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
Cell(Cambridge,Mass.), 135, 2008
3GVE
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BU of 3gve by Molmil
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
5EQV
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BU of 5eqv by Molmil
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
5IHE
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BU of 5ihe by Molmil
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
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
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, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2018-10-13
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
6NUC
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BU of 6nuc by Molmil
Structure of Calcineurin in complex with NHE1 peptide
Descriptor: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, X, Page, R, Peti, W.
Deposit date:2019-01-31
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
4V0X
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BU of 4v0x by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
Descriptor: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
Authors:Gibbons, P, Du, X.
Deposit date:2020-08-20
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
7JV9
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BU of 7jv9 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
Authors:Gibbons, P, Du, X.
Deposit date:2020-08-20
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
7K36
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BU of 7k36 by Molmil
Cryo-EM structure of STRIPAK complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ...
Authors:Jeong, B.-C, Bai, X.C.
Deposit date:2020-09-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the Hippo signaling integrator human STRIPAK.
Nat.Struct.Mol.Biol., 28, 2021
7BBJ
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BU of 7bbj by Molmil
CD73 in complex with the humanized antagonistic antibody mAb19
Descriptor: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ...
Authors:Boettcher, J, Han, F.
Deposit date:2020-12-17
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway.
Mol.Cancer Ther., 20, 2021
7CUN
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BU of 7cun by Molmil
The structure of human Integrator-PP2A complex
Descriptor: Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ...
Authors:Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y.
Deposit date:2020-08-23
Release date:2020-11-25
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase.
Science, 370, 2020
7DOG
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BU of 7dog by Molmil
Crystal structure of a nuclease and capping domain of SbcD from Staphylococcus aureus
Descriptor: MANGANESE (II) ION, Nuclease SbcCD subunit D
Authors:Lee, J, Ha, N.-C.
Deposit date:2020-12-14
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of the nuclease and capping domain of SbcD from Staphylococcus aureus.
J.Microbiol, 59, 2021

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