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2BEP
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BU of 2bep by Molmil
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
2BF8
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BU of 2bf8 by Molmil
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
2QN0
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BU of 2qn0 by Molmil
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
3R4S
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BU of 3r4s by Molmil
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
3R4U
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BU of 3r4u by Molmil
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
2VRR
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BU of 2vrr by Molmil
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
4HOR
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BU of 4hor by Molmil
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
4HOU
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BU of 4hou by Molmil
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
4HOT
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BU of 4hot by Molmil
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
4HOS
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BU of 4hos by Molmil
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
4HOQ
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BU of 4hoq by Molmil
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
3E3U
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BU of 3e3u by Molmil
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
8B4A
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BU of 8b4a by Molmil
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
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
3OBR
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BU of 3obr by Molmil
Crystal structure of Botulinum neurotoxin serotype D binding domain
Descriptor: Botulinum neurotoxin type D, GLYCEROL
Authors:Zong, Y, Lee, K.K, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
3OBT
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BU of 3obt by Molmil
Crystal structure of Botulinum neurotoxin serotype D ligand binding domain in complex with N-Acetylneuraminic acid
Descriptor: Botulinum neurotoxin type D, GLYCEROL, N-acetyl-beta-neuraminic acid
Authors:Lee, K.K, Zong, Y, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
7R3H
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BU of 7r3h by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
Descriptor: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3J
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BU of 7r3j by Molmil
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
7R3E
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BU of 7r3e by Molmil
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
7R3F
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BU of 7r3f by Molmil
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
7R3G
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BU of 7r3g by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3I
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BU of 7r3i by Molmil
PROSS optimitzed variant of RhlR (61 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
5D2M
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BU of 5d2m by Molmil
Complex between human SUMO2-RANGAP1, UBC9 and ZNF451
Descriptor: 1,2-ETHANEDIOL, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
Authors:Cappadocia, L, Lima, C.D.
Deposit date:2015-08-05
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for catalytic activation by the human ZNF451 SUMO E3 ligase.
Nat.Struct.Mol.Biol., 22, 2015
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
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
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

 

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