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8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8FEB
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BU of 8feb by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2022-12-06
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
4ZFC
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BU of 4zfc by Molmil
Crystal structure of AKR1C3 complexed with glicazide
Descriptor: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zhrng, X, Hu, X.
Deposit date:2015-04-21
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4YVP
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BU of 4yvp by Molmil
Crystal Structure of AKR1C1 complexed with glibenclamide
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
5T1S
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BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1T
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BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5WYB
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BU of 5wyb by Molmil
Structure of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
8IUM
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BU of 8ium by Molmil
Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUK
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BU of 8iuk by Molmil
Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUL
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BU of 8iul by Molmil
Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex
Descriptor: Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
4YVV
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BU of 4yvv by Molmil
Crystal structure of AKR1C3 complexed with glibenclamide
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4YVX
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BU of 4yvx by Molmil
Crystal structure of AKR1C3 complexed with glimepiride
Descriptor: 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zheng, X, Zhang, H, Hu, X.
Deposit date:2015-03-20
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
8GXB
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BU of 8gxb by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NAD+
Descriptor: MAGNESIUM ION, NAD+ II riboswitch, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8GXC
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BU of 8gxc by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NMN
Descriptor: 61-mer RNA, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8T1Y
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BU of 8t1y by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac2en (DANA)
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T26
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BU of 8t26 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T27
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BU of 8t27 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 6'-Sialyllactose (only Neu5Ac visible)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T1Z
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BU of 8t1z by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) Bound to Neu5Ac (NANA)
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T24
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BU of 8t24 by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)- Fructose bound in CBM
Descriptor: CITRATE ANION, D-fructose, DI(HYDROXYETHYL)ETHER, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2023-06-05
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
3NSQ
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BU of 3nsq by Molmil
Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron
Descriptor: 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
3NSP
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BU of 3nsp by Molmil
Crystal structure of tetrameric RXRalpha-LBD
Descriptor: Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
5O4C
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BU of 5o4c by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Dods, R, Baath, P, Branden, G, Neutze, R.
Deposit date:2017-05-28
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
7CE2
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BU of 7ce2 by Molmil
The Crystal structure of TeNT Hc complexed with neutralizing antibody
Descriptor: Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain
Authors:Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H.
Deposit date:2020-06-21
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.
Cell Rep, 35, 2021
5WYD
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BU of 5wyd by Molmil
Structural of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ...
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018

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数据于2024-10-16公开中

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