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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
6MTJ
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BU of 6mtj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies 3H109L and 35O22 at 2.9 Angstrom
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-19
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
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
6MUF
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BU of 6muf by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.4 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MTN
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BU of 6mtn by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor Compound 484 in Complex with Human Antibodies 3H109L and 35O22 at 3.0 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-20
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU8
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BU of 6mu8 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6MU6
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BU of 6mu6 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-814508 in Complex with Human Antibodies 3H109L and 35O22 at 3.2 Angstrom
Descriptor: (2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
Authors:Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-04-30
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
5DJ4
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BU of 5dj4 by Molmil
Leucine-bound Sestrin2 from Homo sapiens
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis for leucine sensing by the Sestrin2-mTORC1 pathway.
Science, 351, 2016
4YD0
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BU of 4yd0 by Molmil
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
Descriptor: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2015-02-20
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5B7J
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BU of 5b7j by Molmil
Structure model of Sap1-DNA complex
Descriptor: DNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'), Switch-activating protein 1
Authors:Jin, C, Hu, Y, Ding, J, Zhang, Y.
Deposit date:2016-06-07
Release date:2017-02-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe
J. Biol. Chem., 292, 2017
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
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
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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
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
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (9.7 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
7DK6
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BU of 7dk6 by Molmil
S-2H2-F2 structure, two RBDs are up and one RBD is down, each up RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
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
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
7DK5
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BU of 7dk5 by Molmil
S-2H2-F1 structure, one RBD is up and two RBDs are down, only up RBD binds with a 2H2 Fab
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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

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数据于2024-06-12公开中

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