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5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
8WD8
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BU of 8wd8 by Molmil
Cryo-EM structure of TtdAgo-guide DNA-target DNA complex
Descriptor: Argonaute family protein, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-09-14
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
8EOO
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BU of 8eoo by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibodies WRAIR-2063 and WRAIR-2151
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Jensen, J.L, Sankhala, R.S, Joyce, M.G.
Deposit date:2022-10-03
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Targeting the Spike Receptor Binding Domain Class V Cryptic Epitope by an Antibody with Pan-Sarbecovirus Activity.
J.Virol., 97, 2023
8JAY
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BU of 8jay by Molmil
CrtSPARTA Octamer bound with guide-target
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-07
Release date:2024-03-20
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
5K6G
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BU of 5k6g by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-24 DS-Cav1 variant.
Descriptor: Fusion glycoprotein F0,Fusion glycoprotein F0
Authors:Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6F
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BU of 5k6f by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-19 DS-Cav1 variant.
Descriptor: Fusion glycoprotein F0
Authors:Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-08-10
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6B
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BU of 5k6b by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION
Authors:Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.981 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6C
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BU of 5k6c by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 variant.
Descriptor: Fusion glycoprotein F0,Fusion glycoprotein F0, SULFATE ION
Authors:Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-10-12
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (3.576 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6H
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BU of 5k6h by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 A149C-Y458C variant.
Descriptor: Fusion glycoprotein F0
Authors:Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-09-21
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6I
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BU of 5k6i by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 A149C-Y458C, S46G-E92D-S215P-K465Q variant.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
4JLR
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BU of 4jlr by Molmil
Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab
Descriptor: Motavizumab Fab heavy chain, Motavizumab Fab light chain, PENTAETHYLENE GLYCOL, ...
Authors:Rupert, P.B, Correia, B, Schief, W, Strong, R.K.
Deposit date:2013-03-12
Release date:2014-02-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Descriptor: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J.D, Jordan, S.R, Li, V.
Deposit date:2008-10-17
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
8J9G
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BU of 8j9g by Molmil
CrtSPARTA hetero-dimer bound with guide-target, state 1
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-03
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J8H
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BU of 8j8h by Molmil
SPARTA monomer bound with guide-target, state 2
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-01
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J9P
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BU of 8j9p by Molmil
SPARTA dimer bound with guide-target
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-04
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
5TP3
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BU of 5tp3 by Molmil
Crystal structure of the RSV-neutralizing single-domain antibody F-VHH-4
Descriptor: F-VHH-4
Authors:Wrapp, D, Gilman, M.S.A, McLellan, J.S.
Deposit date:2016-10-19
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
8J84
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BU of 8j84 by Molmil
Short ago complexed with TIR-APAZ
Descriptor: Piwi domain-containing protein, TIR domain-containing protein
Authors:Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R.
Deposit date:2023-04-30
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
5TOJ
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BU of 5toj by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5TOK
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BU of 5tok by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
6B4W
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BU of 6b4w by Molmil
TTK in Complex with Inhibitor
Descriptor: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
Authors:Delker, S, Chamberlain, P.P.
Deposit date:2017-09-27
Release date:2017-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007

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