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7ALE
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BU of 7ale by Molmil
Crystal structure of human PAICS in complex with inhibitor 69
Descriptor: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2
Authors:Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P.
Deposit date:2020-10-06
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Cellular and biochemical validation of a potent PAICS inhibitor
To Be Published
4ISR
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BU of 4isr by Molmil
Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II
Descriptor: Neurotoxin, SULFATE ION, Synaptotagmin-2
Authors:Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
Deposit date:2013-01-17
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
5NQR
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BU of 5nqr by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
Descriptor: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase
Authors:Carter, M, Stenmark, P.
Deposit date:2017-04-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
4ISQ
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BU of 4isq by Molmil
Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
Descriptor: GLYCEROL, Neurotoxin, SULFATE ION, ...
Authors:Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
Deposit date:2013-01-17
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
5NWH
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BU of 5nwh by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
Descriptor: 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase
Authors:Carter, M, Stenmark, P.
Deposit date:2017-05-06
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
4KA8
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BU of 4ka8 by Molmil
Structure of Organellar OligoPeptidase
Descriptor: CHLORIDE ION, GLYCEROL, Oligopeptidase A, ...
Authors:Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P.
Deposit date:2013-04-22
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
5LR0
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BU of 5lr0 by Molmil
Binding domain of Botulinum Neurotoxin DC in complex with SialylT
Descriptor: Botulinum neurotoxin D/C protein, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Berntsson, R.P.-A, Stenmark, P.
Deposit date:2016-08-18
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for the unique ganglioside and cell membrane recognition mechanism of botulinum neurotoxin DC.
Nat Commun, 8, 2017
4KA7
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BU of 4ka7 by Molmil
Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate
Descriptor: CHLORIDE ION, GLYCEROL, Oligopeptidase A, ...
Authors:Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P.
Deposit date:2013-04-22
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
4KBB
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BU of 4kbb by Molmil
Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a
Descriptor: Botulinum neurotoxin type B, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Berntsson, R.P.A, Peng, L, Dong, M, Stenmark, P.
Deposit date:2013-04-23
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of dual receptor binding to botulinum neurotoxin B.
Nat Commun, 4, 2013
5LUZ
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BU of 5luz by Molmil
Structure of Human Neurolysin (E475Q) in complex with neurotensin peptide products
Descriptor: CHLORIDE ION, GLYCEROL, Neurolysin, ...
Authors:Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin.
J. Mol. Biol., 430, 2018
5LOR
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BU of 5lor by Molmil
human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Carter, M, Stenmark, P.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Structural and functional studies of human NUDT22
To Be Published
5LV0
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BU of 5lv0 by Molmil
Structure of Human Neurolysin (E475Q) in complex with amyloid-beta 35-40 peptide product
Descriptor: CHLORIDE ION, GLY-VAL-VAL amyloid 35-40 fragment, Neurolysin, ...
Authors:Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional analysis of Neurolysin, a new component of the mitochondrial peptidolytic network
To Be Published
4LHF
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BU of 4lhf by Molmil
Crystal structure of a DNA binding protein from phage P2
Descriptor: Regulatory protein cox
Authors:Berntsson, R.P.-A, Odegrip, R, Sehlen, W, Skaar, K, Svensson, L.M, Massad, T, Haggard-Ljungquist, E, Stenmark, P.
Deposit date:2013-07-01
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural insight into DNA binding and oligomerization of the multifunctional Cox protein of bacteriophage P2.
Nucleic Acids Res., 42, 2014
5N0C
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BU of 5n0c by Molmil
Crystal structure of the tetanus neurotoxin in complex with GM1a
Descriptor: DI(HYDROXYETHYL)ETHER, Tetanus toxin, ZINC ION, ...
Authors:Masuyer, G, Conrad, J, Stenmark, P.
Deposit date:2017-02-02
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of the tetanus toxin reveals pH-mediated domain dynamics.
EMBO Rep., 18, 2017
5MZF
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BU of 5mzf by Molmil
Crystal structure of dog MTH1 protein
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZG
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BU of 5mzg by Molmil
Crystal structure of mouse MTH1 in complex with TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
6EKT
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BU of 6ekt by Molmil
Structure of P47 from Clostridium botulinum A2
Descriptor: p-47 protein
Authors:Berntsson, R.P, Stenmark, P.
Deposit date:2017-09-27
Release date:2017-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of OrfX2 and P47 from a Botulinum neurotoxin OrfX-type gene cluster.
FEBS Lett., 591, 2017
6EKV
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BU of 6ekv by Molmil
Structure of OrfX2 from Clostridium botulinum A2
Descriptor: SULFATE ION, Toxin complex component ORF-X2
Authors:Gustafsson, R, Berntsson, R.P, Stenmark, P.
Deposit date:2017-09-27
Release date:2017-10-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of OrfX2 and P47 from a Botulinum neurotoxin OrfX-type gene cluster.
FEBS Lett., 591, 2017
6EHH
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BU of 6ehh by Molmil
Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gustafsson, R, Narwal, M, Jemth, A.-S, Almlof, I, Warpman Berglund, U, Helleday, T, Stenmark, P.
Deposit date:2017-09-13
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
6ES1
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BU of 6es1 by Molmil
Crystal structure of the binding domain from botulinum neurotoxin A2 bound to extracellular domain of human receptor SV2C
Descriptor: ACETATE ION, Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
Authors:Gustafsson, R, Masuyer, G, Stenmark, P.
Deposit date:2017-10-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding.
Toxins (Basel), 10, 2018
6F4E
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BU of 6f4e by Molmil
Crystal structure of the zinc-free catalytic domain of botulinum neurotoxin X
Descriptor: Catalytic domain of botulinum neurotoxin X, DI(HYDROXYETHYL)ETHER
Authors:Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
Deposit date:2017-11-29
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
6F47
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BU of 6f47 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin X
Descriptor: Catalytic domain of botulinum neurotoxin X, ZINC ION
Authors:Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
Deposit date:2017-11-29
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
6FL4
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BU of 6fl4 by Molmil
A. thaliana NUDT1 in complex with 8-oxo-dGTP
Descriptor: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1
Authors:Jemth, A.S, Scaletti-Hutchinson, E, Carter, M, Helleday, T, Stenmark, P.
Deposit date:2018-01-25
Release date:2019-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure and Substrate Specificity of the 8-oxo-dGTP Hydrolase NUDT1 from Arabidopsis thaliana.
Biochemistry, 58, 2019
6FLS
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BU of 6fls by Molmil
Pentapeptide repeat family protein from Clostridium botulinum
Descriptor: GLYCEROL, Pentapeptide repeat family protein
Authors:Martinez-Carranza, M, Stenmark, P.
Deposit date:2018-01-27
Release date:2018-08-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cotranslational Folding of a Pentarepeat beta-Helix Protein.
J. Mol. Biol., 430, 2018
6G40
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BU of 6g40 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Helleday, T, Stenmark, P.
Deposit date:2018-03-26
Release date:2019-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023

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数据于2024-05-22公开中

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