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7WCR
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BU of 7wcr by Molmil
RBD-1 of SARS-CoV-2 Beta spike in complex with S5D2 Fab
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD0
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BU of 7wd0 by Molmil
SARS-CoV-2 Beta spike in complex with two S5D2 Fabs
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-27
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-29
Release date:2020-11-25
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-28
Release date:2020-11-25
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-27
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-24
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD8
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BU of 7dd8 by Molmil
S-3C1-F1 structure, one RBD is up and two RBDs are down, the up RBD binds with a 3C1 fab
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 chain
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-28
Release date:2020-12-02
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
5XNE
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BU of 5xne by Molmil
X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168
Descriptor: Alpha-acetolactate decarboxylase, ZINC ION
Authors:Ji, F, Li, M, Feng, Y.
Deposit date:2017-05-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural and enzymatic characterization of acetolactate decarboxylase from Bacillus subtilis
Appl. Microbiol. Biotechnol., 102, 2018
5Y0G
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BU of 5y0g by Molmil
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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BU of 5y0x by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
Descriptor: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y13
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BU of 5y13 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0F
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BU of 5y0f by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y12
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BU of 5y12 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
3L2A
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BU of 3l2a by Molmil
Crystal structure of Reston Ebola VP35 interferon inhibitory domain
Descriptor: ACETIC ACID, GLYCEROL, Polymerase cofactor VP35
Authors:Leung, D.W, Farahbakhsh, M, Borek, D.M, Prins, K.C, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Characterization of Reston Ebola Virus VP35 Interferon Inhibitory Domain.
J.Mol.Biol., 399, 2010
3RFZ
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BU of 3rfz by Molmil
Crystal structure of the FimD usher bound to its cognate FimC:FimH substrate
Descriptor: Chaperone protein fimC, Outer membrane usher protein, type 1 fimbrial synthesis, ...
Authors:Phan, G, Remaut, H, Lebedev, A, Geibel, S, Waksman, G.
Deposit date:2011-04-07
Release date:2011-06-01
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate.
Nature, 474, 2011
3MFE
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BU of 3mfe by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant with H0 movement
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, D, Li, H.
Deposit date:2010-04-02
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
3MKA
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BU of 3mka by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome with propetide and an T1A mutation at beta-subunit
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Li, D, Li, H.
Deposit date:2010-04-14
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 29, 2010
3MGM
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BU of 3mgm by Molmil
Crystal structure of human NUDT16
Descriptor: U8 snoRNA-decapping enzyme
Authors:Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F.
Deposit date:2010-04-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure and the template mRNA decapping activity of human NUDT16
To be Published
3MI0
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BU of 3mi0 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A
Descriptor: (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2010-04-09
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome.
Embo J., 2010
4YQH
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BU of 4yqh by Molmil
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
Descriptor: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D, Herman, L, Wang, T.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.308 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YS7
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BU of 4ys7 by Molmil
Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Descriptor: 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Burdi, D.F, Herman, L, Wang, T.
Deposit date:2015-03-16
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
7Y62
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BU of 7y62 by Molmil
Crystal structure of human TFEB HLHLZ domain
Descriptor: Transcription factor EB
Authors:Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J.
Deposit date:2022-06-18
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
3GBI
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BU of 3gbi by Molmil
The Rational Design and Structural Analysis of a Self-Assembled Three-Dimensional DNA Crystal
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
Authors:Birktoft, J.J, Zheng, J, Seeman, N.C.
Deposit date:2009-02-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.018 Å)
Cite:From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal.
Nature, 461, 2009

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