2BEP
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![BU of 2bep by Molmil](/molmil-images/mine/2bep) | Crystal structure of ubiquitin conjugating enzyme E2-25K | Descriptor: | BETA-MERCAPTOETHANOL, UBIQUITIN-CONJUGATING ENZYME E2-25 KDA | Authors: | Pichler, A, Knipscheer, P, Oberhofer, E, Van Dijk, W.J, Korner, R, Velgaard Olsen, J, Jentsch, S, Melchior, F, Sixma, T.K. | Deposit date: | 2004-11-29 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sumo Imodification of the Ubiquitin Conjugating Enzyme E2-25K Nat.Struct.Mol.Biol., 12, 2005
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2BF8
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![BU of 2bf8 by Molmil](/molmil-images/mine/2bf8) | Crystal structure of SUMO modified ubiquitin conjugating enzyme E2- 25K | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2-25 KDA, UBIQUITIN-LIKE PROTEIN SMT3C | Authors: | Pichler, A, Knipscheer, P, Oberhofer, E, Van Dijk, W.J, Korner, R, Velgaard Olsen, J, Jentsch, S, Melchior, F, Sixma, T.K. | Deposit date: | 2004-12-06 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sumo Imodification of the Ubiquitin Conjugating Enzyme E2-25K Nat.Struct.Mol.Biol., 12, 2005
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3R4S
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![BU of 3r4s by Molmil](/molmil-images/mine/3r4s) | Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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3R4U
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![BU of 3r4u by Molmil](/molmil-images/mine/3r4u) | Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1 | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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2QN0
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![BU of 2qn0 by Molmil](/molmil-images/mine/2qn0) | Structure of Botulinum neurotoxin serotype C1 light chain protease | Descriptor: | Neurotoxin, ZINC ION | Authors: | Jin, R, Sikorra, S, Stegmann, C.M, Pich, A, Binz, T, Brunger, A.T. | Deposit date: | 2007-07-17 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and biochemical studies of botulinum neurotoxin serotype C1 light chain protease: implications for dual substrate specificity. Biochemistry, 46, 2007
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2VRR
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![BU of 2vrr by Molmil](/molmil-images/mine/2vrr) | Structure of SUMO modified Ubc9 | Descriptor: | FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ... | Authors: | Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A. | Deposit date: | 2008-04-13 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Ubc9 sumoylation regulates SUMO target discrimination. Mol. Cell, 31, 2008
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4HOR
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![BU of 4hor by Molmil](/molmil-images/mine/4hor) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3') | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOU
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![BU of 4hou by Molmil](/molmil-images/mine/4hou) | Crystal Structure of N-terminal Human IFIT1 | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 1 | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-30 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOT
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![BU of 4hot by Molmil](/molmil-images/mine/4hot) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligoadenine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(ATP)P*AP*AP*A)-3') | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOQ
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![BU of 4hoq by Molmil](/molmil-images/mine/4hoq) | Crystal Structure of Full-Length Human IFIT5 | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5 | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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4HOS
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![BU of 4hos by Molmil](/molmil-images/mine/4hos) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligouridine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, RNA (5'-R(*(UTP)P*UP*UP*U)-3'), SODIUM ION | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
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3E3U
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![BU of 3e3u by Molmil](/molmil-images/mine/3e3u) | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | Deposit date: | 2008-08-08 | Release date: | 2009-01-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results. Bioorg.Med.Chem.Lett., 18, 2008
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3OBR
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![BU of 3obr by Molmil](/molmil-images/mine/3obr) | |
3OBT
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![BU of 3obt by Molmil](/molmil-images/mine/3obt) | |
8B4A
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![BU of 8b4a by Molmil](/molmil-images/mine/8b4a) | Nativ complex of PqsE and RhlR with autoinducer C4-HSL | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ... | Authors: | Borgert, S.R, Blankenfeldt, W. | Deposit date: | 2022-09-20 | Release date: | 2022-12-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa. Nat Commun, 13, 2022
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7R3H
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![BU of 7r3h by Molmil](/molmil-images/mine/7r3h) | |
7R3J
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![BU of 7r3j by Molmil](/molmil-images/mine/7r3j) | Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ... | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | Deposit date: | 2022-02-07 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa. Nat Commun, 13, 2022
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7R3E
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![BU of 7r3e by Molmil](/molmil-images/mine/7r3e) | Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | Deposit date: | 2022-02-07 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa. Nat Commun, 13, 2022
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7R3F
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![BU of 7r3f by Molmil](/molmil-images/mine/7r3f) | Monomeric PqsE mutant E187R | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ... | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | Deposit date: | 2022-02-07 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa. Nat Commun, 13, 2022
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7R3G
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![BU of 7r3g by Molmil](/molmil-images/mine/7r3g) | |
7R3I
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![BU of 7r3i by Molmil](/molmil-images/mine/7r3i) | |
6HVH
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![BU of 6hvh by Molmil](/molmil-images/mine/6hvh) | 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: | 2024-05-15 | 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
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6HVJ
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![BU of 6hvj by Molmil](/molmil-images/mine/6hvj) | 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: | 2024-05-15 | 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
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6IBY
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![BU of 6iby by Molmil](/molmil-images/mine/6iby) | 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
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6IC0
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![BU of 6ic0 by Molmil](/molmil-images/mine/6ic0) | 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
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