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7WD7
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BU of 7wd7 by Molmil
SARS-CoV-2 Beta spike in complex with three S5D2 Fabs
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
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
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
7WDF
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BU of 7wdf by Molmil
SARS-CoV-2 Beta spike in complex with two S3H3 Fabs
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.9 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
7WCZ
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BU of 7wcz by Molmil
SARS-CoV-2 Beta spike in complex with one 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
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
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
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4IBG
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BU of 4ibg by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBD
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BU of 4ibd by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBI
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BU of 4ibi by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.473 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBF
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BU of 4ibf by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBJ
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BU of 4ibj by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBE
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BU of 4ibe by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBK
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BU of 4ibk by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBC
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BU of 4ibc by Molmil
Ebola virus VP35 bound to small molecule
Descriptor: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
Authors:Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
Deposit date:2012-12-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P6J
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BU of 4p6j by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and Proton, SULFATE ION
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4P6K
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BU of 4p6k by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-bromophenylalanine in Lipidic Cubic Phase
Descriptor: Computationally Designed Transporter of Zn(II) and Proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
4PS7
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BU of 4ps7 by Molmil
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Descriptor: N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
Authors:Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
Deposit date:2018-11-19
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
4PS3
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BU of 4ps3 by Molmil
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
Descriptor: 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014

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