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6LKX
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BU of 6lkx by Molmil
The structure of PRRSV helicase
Descriptor: CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Shi, Y.J, Tong, X.H, Peng, G.Q.
Deposit date:2019-12-20
Release date:2020-05-27
Last modified:2021-06-09
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
Authors:Sun, M.M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8J6M
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BU of 8j6m by Molmil
SIDT1 protein
Descriptor: CHOLESTEROL, Green fluorescent protein,SID1 transmembrane family member 1, OLEIC ACID, ...
Authors:Zhang, J.T, Jiang, D.H.
Deposit date:2023-04-26
Release date:2024-05-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
8J6O
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BU of 8j6o by Molmil
transport T2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Green fluorescent protein (Fragment),SID1 transmembrane family member 2, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2023-04-26
Release date:2024-05-01
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
6F9C
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BU of 6f9c by Molmil
Model of the Rift Valley fever virus glycoprotein hexamer type 1
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Huiskonen, J.T.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
Descriptor: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
Authors:Sun, M.M.
Deposit date:2023-07-15
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
6F9E
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BU of 6f9e by Molmil
Model of the Rift Valley fever virus glycoprotein hexamer type 3
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Huiskonen, J.T.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (13.3 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
6F9D
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BU of 6f9d by Molmil
Model of the Rift Valley fever virus glycoprotein hexamer type 2
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Huiskonen, J.T.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (13.3 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
6F9B
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BU of 6f9b by Molmil
Asymmetric unit of Rift Valley fever virus glycoprotein shell
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Huiskonen, J.T.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2018-02-07
Method:ELECTRON MICROSCOPY (13.3 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
6F8P
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BU of 6f8p by Molmil
Crystal structure of Gn from Rift Valley fever virus
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Harlos, K.
Deposit date:2017-12-13
Release date:2018-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
5WYS
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BU of 5wys by Molmil
luciferase with inhibitor 3i
Descriptor: 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase
Authors:Gu, L, Su, J, Wang, F.
Deposit date:2017-01-15
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Inhibiting Firefly Bioluminescence by Chalcones
Anal. Chem., 89, 2017
6F9F
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BU of 6f9f by Molmil
Model of the Rift Valley fever virus glycoprotein pentamer
Descriptor: Glycoprotein
Authors:Halldorsson, S, Bowden, T.A, Huiskonen, J.T.
Deposit date:2017-12-14
Release date:2018-01-31
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (13.3 Å)
Cite:Shielding and activation of a viral membrane fusion protein.
Nat Commun, 9, 2018
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LNL
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BU of 6lnl by Molmil
ASFV core shell protein p15
Descriptor: 60 kDa polyprotein
Authors:Guo, F, Shi, Y, Peng, G.
Deposit date:2019-12-30
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9286 Å)
Cite:The structural basis of African swine fever virus core shell protein p15 binding to DNA.
Faseb J., 35, 2021
6LRC
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BU of 6lrc by Molmil
Human cGAS catalytic domain bound with the inhibitor PF-06928215
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xu, Y.C.
Deposit date:2020-01-15
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRL
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BU of 6lrl by Molmil
Human cGAS catalytic domain bound with compound s2
Descriptor: 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRJ
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BU of 6lrj by Molmil
Human cGAS catalytic domain bound with compound 23
Descriptor: 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRI
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BU of 6lri by Molmil
Human cGAS catalytic domain bound with compound 17
Descriptor: 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRE
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BU of 6lre by Molmil
Human cGAS catalytic domain bound with compound 3
Descriptor: 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRK
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BU of 6lrk by Molmil
Human cGAS catalytic domain bound with compound 40
Descriptor: (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020

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PDB entries from 2024-10-30

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