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7Y0W
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BU of 7y0w by Molmil
Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ...
Authors:Zhang, Z, Xiao, J.
Deposit date:2022-06-06
Release date:2022-09-28
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7L5B
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BU of 7l5b by Molmil
Crystallographic structure of neutralizing antibody 2-15 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD).
Descriptor: 2-15 Heavy chain, 2-15 Light Chain, Spike protein S1
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2020-12-21
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
5AZF
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BU of 5azf by Molmil
Crystal structure of LGG-1 complexed with a WEEL peptide
Descriptor: CADMIUM ION, Protein lgg-1, SULFATE ION, ...
Authors:Watanabe, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZG
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BU of 5azg by Molmil
Crystal structure of LGG-1 complexed with a UNC-51 peptide
Descriptor: CADMIUM ION, Protein lgg-1, Serine/threonine-protein kinase unc-51
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5AZH
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BU of 5azh by Molmil
Crystal structure of LGG-2 fused with an EEEWEEL peptide
Descriptor: EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
5E6O
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BU of 5e6o by Molmil
Crystal structure of C. elegans LGG-2 bound to an AIM/LIR motif
Descriptor: Protein lgg-2, TRP-GLU-GLU-LEU
Authors:Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
Deposit date:2015-10-10
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
7JWY
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BU of 7jwy by Molmil
Structure of SARS-CoV-2 spike at pH 4.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhou, T, Tsybovsky, Y, Kwong, P.D.
Deposit date:2020-08-26
Release date:2020-11-25
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
5E6N
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BU of 5e6n by Molmil
Crystal structure of C. elegans LGG-2
Descriptor: Protein lgg-2
Authors:Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
Deposit date:2015-10-10
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBP
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BU of 7wbp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7MXP
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BU of 7mxp by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody LP5 Fab in complex with SARS-CoV-2 S2P spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)][beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Casner, R.G, Shapiro, L.
Deposit date:2021-05-19
Release date:2022-05-25
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.46 Å)
Cite:Antibody screening at reduced pH enables preferential selection of potently neutralizing antibodies targeting SARS-CoV-2.
Aiche J, 67, 2021
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
Descriptor: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
Deposit date:2005-07-19
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
Descriptor: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
8ROY
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BU of 8roy by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24
Descriptor: 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
Deposit date:2024-01-12
Release date:2024-04-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
8ROX
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BU of 8rox by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12
Descriptor: 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L.
Deposit date:2024-01-12
Release date:2024-04-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
7WBL
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BU of 7wbl by Molmil
Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
8VTS
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BU of 8vts by Molmil
Meis1 homeobox domain bound to paromomycin fragment
Descriptor: 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ...
Authors:Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N.
Deposit date:2024-01-27
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
8VTT
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BU of 8vtt by Molmil
Meis1 homeobox domain bound to neomycin fragment
Descriptor: Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION
Authors:Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A.
Deposit date:2024-01-27
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
7XCO
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BU of 7xco by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with S309 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Fab heavy chain, ...
Authors:Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
Deposit date:2022-03-24
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022

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