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7WSG
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BU of 7wsg by Molmil
Cryo-EM structure of SARS-CoV spike receptor-binding domain in complex with sea lion ACE2
Descriptor: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
Authors:Li, S, Han, P, Qi, J.
Deposit date:2022-01-29
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WSH
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BU of 7wsh by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain in complex with sea lion ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Li, S, Han, P, Qi, J.
Deposit date:2022-01-29
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7X1M
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BU of 7x1m by Molmil
The complex structure of Omicron BA.1 RBD with BD604, S309,and S304
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ...
Authors:Huang, M, Xie, Y.F, Qi, J.X.
Deposit date:2022-02-24
Release date:2022-07-06
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
3W0F
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BU of 3w0f by Molmil
Crystal structure of mouse Endonuclease VIII-LIKE 3 (mNEIL3)
Descriptor: Endonuclease 8-like 3, IODIDE ION, ZINC ION
Authors:Liu, M, Imamura, K, Averill, A.M, Wallace, S.S, Doublie, S.
Deposit date:2012-10-30
Release date:2013-01-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of a Mouse Ortholog of Human NEIL3 with a Marked Preference for Single-Stranded DNA
Structure, 21, 2013
3ZPM
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BU of 3zpm by Molmil
Solution structure of latherin
Descriptor: LATHERIN
Authors:Vance, S.J, MacDonald, R.E, Cooper, A, Kennedy, M.W, Smith, B.O.
Deposit date:2013-02-28
Release date:2013-06-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure of latherin, a surfactant allergen protein from horse sweat and saliva.
J R Soc Interface, 10, 2013
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBK
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BU of 4nbk by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N7J
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BU of 4n7j by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N5D
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BU of 4n5d by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ...
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-09
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBN
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BU of 4nbn by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4P0N
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BU of 4p0n by Molmil
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
Descriptor: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
Authors:Chmait, S.
Deposit date:2014-02-21
Release date:2014-10-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Descriptor: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-02-27
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4PHW
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BU of 4phw by Molmil
Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone
Descriptor: 1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-05-07
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 1-(4-(3-(4-(1H-Benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), A Potent, Selective, and Efficacious Inhibitor of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 57, 2014
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
Descriptor: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-06-09
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
7EKE
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BU of 7eke by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain F486L mutation complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKF
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BU of 7ekf by Molmil
Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with 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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKH
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BU of 7ekh by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKG
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BU of 7ekg by Molmil
Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with 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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7EKC
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BU of 7ekc by Molmil
Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with 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:Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
7E8J
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BU of 7e8j by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Thermococcus celer
Descriptor: RNA-free ribonuclease P
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8O
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BU of 7e8o by Molmil
Crystal structure of proteinaceous RNase P(PRORP) from Planctomycetes bacterium GWF2_40_8 complexed with Escherichia coli histidine pre-tRNA
Descriptor: CALCIUM ION, RNA-free ribonuclease P, histidine pre-tRNA
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8K
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BU of 7e8k by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Planctomycetes bacterium GWF2_40_8
Descriptor: RNA-free ribonuclease P, SULFATE ION
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
1ZA7
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BU of 1za7 by Molmil
The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution.
Descriptor: Coat protein
Authors:Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E.
Deposit date:2005-04-05
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics.
J.Virol., 80, 2006

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