1WW6
 
 | | Agrocybe cylindracea galectin complexed with lactose | | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin | | Authors: | Ban, M, Yoon, H.J, Demirkan, E, Utsumi, S, Mikami, B, Yagi, F. | | Deposit date: | 2005-01-03 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
J.Mol.Biol., 351, 2005
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1WW4
 | | Agrocybe cylindracea galectin complexed with NeuAca2-3lactose | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-alpha-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin | | Authors: | Ban, M, Yoon, H.J, Demirkan, E, Utsumi, S, Mikami, B, Yagi, F. | | Deposit date: | 2004-12-31 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
J.Mol.Biol., 351, 2005
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1WW5
 | | Agrocybe cylindracea galectin complexed with 3'-sulfonyl lactose | | Descriptor: | 3-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin | | Authors: | Ban, M, Yoon, H.J, Demirkan, E, Utsumi, S, Mikami, B, Yagi, F. | | Deposit date: | 2005-01-03 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
J.Mol.Biol., 351, 2005
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1WW7
 | | Agrocybe cylindracea galectin (Ligand-free) | | Descriptor: | SULFATE ION, galectin | | Authors: | Ban, M, Yoon, H.J, Demirkan, E, Utsumi, S, Mikami, B, Yagi, F. | | Deposit date: | 2005-01-03 | | Release date: | 2005-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
J.Mol.Biol., 351, 2005
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3KZY
 | | Crystal structure of SNAP-tag | | Descriptor: | Methylated-DNA--protein-cysteine methyltransferase, ZINC ION | | Authors: | Bannwarth, M, Schmitt, S, Pojer, F, Schiltz, M, Johnsson, K. | | Deposit date: | 2009-12-09 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | SNAP-tag structure
To be Published
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3LL5
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5JPC
 | | Joint X-ray/neutron structure of MTAN complex with Formycin A | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5KB3
 | | 1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION | | Authors: | Banco, M.T, Ronning, D.R. | | Deposit date: | 2016-06-02 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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2HNL
 | | Structure of the prostaglandin D synthase from the parasitic nematode Onchocerca volvulus | | Descriptor: | GLUTATHIONE, Glutathione S-transferase 1 | | Authors: | Perbandt, M, Hoppner, J, Betzel, C, Liebau, E. | | Deposit date: | 2006-07-13 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the extracellular glutathione S-transferase OvGST1 from the human pathogenic parasite Onchocerca volvulus.
J.Mol.Biol., 377, 2008
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6ITB
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6NAH
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6NB1
 | | Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06 | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide | | Authors: | Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F. | | Deposit date: | 2018-12-06 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
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6NAY
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6NAW
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8SZM
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8SZN
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9B9H
 | | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Wilson, B.J, Alvarez, H.G, Hoffer, L, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-04-02 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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9B9W
 | | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792 | | Descriptor: | (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Wilson, B.J, Mamai, A, Hoffer, L, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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9B9T
 | | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40407 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-{(1P)-5'-[(17-{(4P)-4-[(2P)-4-{[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-1H-pyrazol-1-yl}-16-oxo-3,6,9,12-tetraoxa-15-azaheptadecan-1-yl)carbamoyl]-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Wilson, B.J, Krausser, C, Hoffer, L, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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9BA2
 | | Crystal structure of the binary complex of DCAF1 and WDR5 | | Descriptor: | DDB1- and CUL4-associated factor 1, IMIDAZOLE, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Wilson, B.J, Srivastava, S, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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6W9T
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9DLW
 | | Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41114 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5 | | Authors: | Mabanglo, M.F, Mamai, A, Wilson, B.J, Hoffer, L, Al-awar, R, Vedadi, M. | | Deposit date: | 2024-09-11 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
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7UVR
 | | Crystal structure of human ClpP protease in complex with TR-65 | | Descriptor: | 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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7UW0
 | | Crystal structure of human ClpP protease in complex with TR-133 | | Descriptor: | 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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7UVM
 | | Crystal structure of human ClpP protease in complex with TR-27 | | Descriptor: | (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Mabanglo, M.F, Houry, W.A. | | Deposit date: | 2022-05-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
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