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PDB: 57 results

8FAL
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BU of 8fal by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione
Descriptor: 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kohlbrand, A.J, Seo, H.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
4OWR
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BU of 4owr by Molmil
Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair Rae1-Nup98
Descriptor: Matrix protein, Nuclear pore complex protein Nup98-Nup96, mRNA export factor
Authors:Ren, Y, Quan, B, Seo, H.S, Blobel, G.
Deposit date:2014-02-03
Release date:2014-06-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair (Rae1 Nup98).
Proc.Natl.Acad.Sci.USA, 111, 2014
8DAL
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BU of 8dal by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile
Descriptor: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-06-13
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
Descriptor: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-06-17
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
Descriptor: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-06-17
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
Descriptor: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-06-27
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8CTF
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BU of 8ctf by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-05-14
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DJY
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BU of 8djy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
Descriptor: (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-07-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DJV
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BU of 8djv by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Descriptor: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-07-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7V04
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BU of 7v04 by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Descriptor: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-05-09
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8HKB
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BU of 8hkb by Molmil
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis mutant K184D
Descriptor: Periplasmic terephthalate binding protein (TBP), terephthalic acid
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
8HKA
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BU of 8hka by Molmil
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis
Descriptor: Periplasmic terephthalate binding protein (TBP), terephthalic acid
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
8HK9
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BU of 8hk9 by Molmil
Apo-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis
Descriptor: GLYCEROL, Periplasmic terephthalate binding protein (TBP)
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-11-25
Release date:2023-06-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism underlying high-affinity terephthalate binding and conformational change of TBP from Ideonella sakaiensis.
Int.J.Biol.Macromol., 243, 2023
7CWI
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BU of 7cwi by Molmil
Crystal structure of beta-galactosidase II from Bacillus circulans
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Hong, H, Seo, H.
Deposit date:2020-08-28
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High Galacto-Oligosaccharide Production and a Structural Model for Transgalactosylation of beta-Galactosidase II from Bacillus circulans .
J.Agric.Food Chem., 68, 2020
7CWD
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BU of 7cwd by Molmil
Crystal structure of beta-galactosidase II from Bacillus circulans in complex with beta-D-galactopyranosyl disaccharide
Descriptor: alpha-D-glucopyranose, beta-D-galactopyranose, beta-glalactosidase
Authors:Hong, H, Seo, H.
Deposit date:2020-08-27
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Galacto-Oligosaccharide Production and a Structural Model for Transgalactosylation of beta-Galactosidase II from Bacillus circulans .
J.Agric.Food Chem., 68, 2020
7VG4
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BU of 7vg4 by Molmil
10,5-methenyltetrahydrofolate cyclohydrolase from Methylobacterium extorquens AM1 strain
Descriptor: Methenyltetrahydrofolate cyclohydrolase
Authors:Kim, S, Lee, S, Kim, I.-K, Seo, H, Kim, K.-J.
Deposit date:2021-09-14
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural insight into a molecular mechanism of methenyltetrahydrofolate cyclohydrolase from Methylobacterium extorquens AM1.
Int.J.Biol.Macromol., 202, 2022
7VG5
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BU of 7vg5 by Molmil
10,5-methenyltetrahydrofolate cyclohydrolase from Methylobacterium extorquens AM1 with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, Methenyltetrahydrofolate cyclohydrolase
Authors:Kim, S, Lee, S, Kim, I.-K, Seo, H, Kim, K.-J.
Deposit date:2021-09-14
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insight into a molecular mechanism of methenyltetrahydrofolate cyclohydrolase from Methylobacterium extorquens AM1.
Int.J.Biol.Macromol., 202, 2022
8H5M
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BU of 8h5m by Molmil
Crystal structure of PETase S121E/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8H5K
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BU of 8h5k by Molmil
Crystal structure of PETase N37D/S121E/R132E/A171C/A180V/P181V/D186H/S193C/R224E/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8H5O
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BU of 8h5o by Molmil
Crystal structure of PETase S121E/P181V/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8H5J
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BU of 8h5j by Molmil
Crystal structure of PETase S121E/A180V/P181V/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8H5L
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BU of 8h5l by Molmil
Crystal structure of PETase N37D/S121E/R132E/A171C/A180V/P181V/D186H/S193C/A202C/V211C/S214Y/R224E/N233C/S242T/N246D/N275C/S282C/F284C mutant from Ideonella sakaiensis
Descriptor: IODIDE ION, POTASSIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
6J57
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BU of 6j57 by Molmil
Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Predicted 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase, ...
Authors:Hong, H, Seo, H, Kim, K.-J, Park, W.
Deposit date:2019-01-10
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Environ.Microbiol., 22, 2020
6J5Y
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BU of 6j5y by Molmil
Crystal structure of fumarylpyruvate hydrolase from Pseudomonas aeruginosa in complex with Mn2+ and pyruvate
Descriptor: FAA hydrolase family protein, MANGANESE (II) ION, PYRUVIC ACID
Authors:Hong, H, Seo, H, Kim, K.-J, Park, W.
Deposit date:2019-01-12
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Environ.Microbiol., 22, 2020
6J5X
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BU of 6j5x by Molmil
Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum in complex with Mn2+ and pyruvate
Descriptor: MANGANESE (II) ION, PYRUVIC ACID, Predicted 2-keto-4-pentenoate hydratase/2-oxohepta-3-ene-1,7-dioic acid hydratase, ...
Authors:Hong, H, Seo, H, Kim, K.-J, Park, W.
Deposit date:2019-01-12
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Environ.Microbiol., 22, 2020

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