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4TY7
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BU of 4ty7 by Molmil
Factor XIa in complex with the inhibitor (2S)-6-amino-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-2-ethylhexanamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2014-07-08
Release date:2014-12-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
4TY6
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BU of 4ty6 by Molmil
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
Descriptor: 1,2-ETHANEDIOL, 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide, CYS-THR-THR-LYS-ILE-LYS-PRO, ...
Authors:Wei, A.
Deposit date:2014-07-07
Release date:2014-12-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Phenylimidazoles as Potent and Selective Inhibitors of Coagulation Factor XIa with in Vivo Antithrombotic Activity.
J.Med.Chem., 57, 2014
8X80
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BU of 8x80 by Molmil
Structure of leptin-LepR trimer with a small gap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, ...
Authors:Xie, Y.F, Gao, G.F.
Deposit date:2023-11-27
Release date:2024-08-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural plasticity of human leptin binding to its receptor LepR
Hlife, 1, 2023
8X81
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BU of 8x81 by Molmil
Structure of leptin-LepR trimer with a large gap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, ...
Authors:Xie, Y.F, Gao, G.F.
Deposit date:2023-11-27
Release date:2024-08-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Structural plasticity of human leptin binding to its receptor LepR
Hlife, 1, 2023
6LMJ
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BU of 6lmj by Molmil
ASFV pA104R in complex with double-strand DNA
Descriptor: A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3')
Authors:Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZW1
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BU of 6zw1 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
Descriptor: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
Authors:Barinka, C, Motlova, L, Ustinova, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
6MTA
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BU of 6mta by Molmil
KRAS P34R mutant structure in complex with GTP analogue
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A04
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BU of 6a04 by Molmil
Structure of pSTING complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
9E5F
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BU of 9e5f by Molmil
Discovery of an Orally Bioavailable KRAS G12D Inhibitor
Descriptor: (4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Deller, M.C, Epling, L.B.
Deposit date:2024-10-28
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor.
J.Med.Chem., 68, 2025
9E5D
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BU of 9e5d by Molmil
Discovery of an Orally Biovailable KRAS G12D Inhibitor
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Deller, M.C, Epling, L.B.
Deposit date:2024-10-28
Release date:2025-01-22
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor.
J.Med.Chem., 68, 2025
6MS9
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BU of 6ms9 by Molmil
GDP-bound KRAS P34R mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-16
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6A03
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BU of 6a03 by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6O36
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BU of 6o36 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6GY9
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BU of 6gy9 by Molmil
Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein
Descriptor: 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein
Authors:Ruoff, K, Kilic, T, Hansman, G.S.
Deposit date:2018-06-28
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein.
Biomacromolecules, 19, 2018
6O46
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BU of 6o46 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6H70
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BU of 6h70 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62 and 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H6Y
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BU of 6h6y by Molmil
GI.1 human norovirus protruding domain in complex with Nano-7
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Capsid protein VP1, ...
Authors:Kilic, T, Ruoff, K, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H71
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BU of 6h71 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H6Z
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BU of 6h6z by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6H72
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BU of 6h72 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94 and 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6A05
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BU of 6a05 by Molmil
Structure of pSTING complex
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
4U0L
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BU of 4u0l by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D131A-D133A
Descriptor: Cyclic AMP-GMP synthase
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
4U0N
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BU of 4u0n by Molmil
Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) deletion mutant D-loop
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
Authors:Xiang, Y, Zhu, D.Y.
Deposit date:2014-07-12
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014

238582

数据于2025-07-09公开中

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