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7WK2
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BU of 7wk2 by Molmil
SARS-CoV-2 Omicron S-close
Descriptor: Spike glycoprotein
Authors:Li, J.W, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WKA
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BU of 7wka by Molmil
SARS-CoV-2 Omicron closed state spike protein in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK9
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BU of 7wk9 by Molmil
SARS-CoV-2 Omicron open state spike protein in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-02-02
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WK8
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BU of 7wk8 by Molmil
SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Hong, Q, Cong, Y.
Deposit date:2022-01-08
Release date:2022-01-26
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
4HIQ
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BU of 4hiq by Molmil
The Structure of V122I Mutant Transthyretin in Complex with AG10
Descriptor: 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HIS
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BU of 4his by Molmil
The Structure of V122I Mutant Transthyretin in Complex with Tafamidis
Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
Authors:Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
7JWG
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BU of 7jwg by Molmil
OspA-Fab 221-7 complex structure
Descriptor: Antibody 221-7 Fab heavy chain, Antibody 221-7 Fab light chain, Outer surface protein A
Authors:Rudolph, M.J.
Deposit date:2020-08-25
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody.
J.Clin.Invest., 131, 2021
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.678 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7V0E
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BU of 7v0e by Molmil
Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gao, L, Lu, J, Song, J.
Deposit date:2022-05-10
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.27016377 Å)
Cite:Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations.
Nat Commun, 13, 2022
2MVW
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BU of 2mvw by Molmil
Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
Descriptor: Protein PML, ZINC ION
Authors:Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
5TWU
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BU of 5twu by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: Maternal embryonic leucine zipper kinase
Authors:Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
Authors:Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
5TWL
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BU of 5twl by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWZ
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BU of 5twz by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
8WNG
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BU of 8wng by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile
Descriptor: ACETATE ION, GLYCEROL, ISOLEUCINE, ...
Authors:Guo, Y, Li, S, Zhang, T.
Deposit date:2023-10-05
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
3B8H
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BU of 3b8h by Molmil
Structure of the eEF2-ExoA(E546A)-NAD+ complex
Descriptor: Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jorgensen, R, Merrill, A.R.
Deposit date:2007-11-01
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The nature and character of the transition state for the ADP-ribosyltransferase reaction.
Embo Rep., 9, 2008
7ECY
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BU of 7ecy by Molmil
EV-D68 in complex with 2H12 Fab (State 3)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-13
Release date:2021-03-31
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EBZ
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BU of 7ebz by Molmil
EV-D68 in complex with 2H12 Fab (state S1)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-11
Release date:2021-03-31
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021

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