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7BNT
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BU of 7bnt by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp.
Descriptor: 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp.
Authors:Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
6HVH
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BU of 6hvh by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
6HVJ
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BU of 6hvj by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
6IBY
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BU of 6iby by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6IC0
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BU of 6ic0 by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6IBX
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BU of 6ibx by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5
Descriptor: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
7QZD
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BU of 7qzd by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikF with an engineered HMA domain of Pikp-1 (Pikp-SNK-EKE) from rice (Oryza sativa)
Descriptor: Avr-Pik, Resistance protein Pikp-1
Authors:Maidment, J.H.R, Franceschetti, M, Longya, A, Banfield, M.J.
Deposit date:2022-01-31
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor.
Elife, 12, 2023
7QPX
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BU of 7qpx by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with an engineered HMA domain of Pikp-1 (Pikp-SNK-EKE) from rice (Oryza sativa)
Descriptor: AVR-Pik protein, Resistance protein Pikp-1
Authors:Maidment, J.H.R, Banfield, M.J.
Deposit date:2022-01-05
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor.
Elife, 12, 2023
6EHA
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BU of 6eha by Molmil
Heme oxygenase 1 in complex with inhibitor
Descriptor: 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grudnik, P, Mieczkowski, M.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019
6HVI
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BU of 6hvi by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ...
Authors:Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M.
Deposit date:2018-10-11
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
6IBZ
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BU of 6ibz by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7
Descriptor: 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
Authors:Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019

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