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7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
Authors:Zha, J, Meng, L, Zhang, X, Li, D.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
Descriptor: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
Authors:Lu, M.
Deposit date:2023-01-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
8JJM
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BU of 8jjm by Molmil
X-ray crystal structure of a multifunctional enzyme (Amy63) from Vibrio alginolyticus 63
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amy63, CALCIUM ION, ...
Authors:Sun, Y.F, Zhang, W.
Deposit date:2023-05-31
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The novel amylase function of the carboxyl terminal domain of Amy63.
Biochem.Biophys.Res.Commun., 671, 2023
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
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
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
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
7TJ5
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BU of 7tj5 by Molmil
SthK closed state, cAMP-bound in the presence of POPA
Descriptor: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
Authors:Schmidpeter, P.A, Nimigean, C.M.
Deposit date:2022-01-14
Release date:2022-10-26
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
7TKT
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BU of 7tkt by Molmil
SthK closed state, cAMP-bound in the presence of detergent
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
Authors:Rheinberger, J, Schmidpeter, P.A, Nimigean, C.M.
Deposit date:2022-01-17
Release date:2022-10-26
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
7TJ6
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BU of 7tj6 by Molmil
SthK open state, cAMP-bound in the presence of POPA
Descriptor: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
Authors:Schmidpeter, P.A, Nimigean, C.M.
Deposit date:2022-01-14
Release date:2022-10-26
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
7CO5
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BU of 7co5 by Molmil
HtrA-type protease AlgW with decapeptide
Descriptor: AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO3
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BU of 7co3 by Molmil
HtrA-type protease AlgWS227A with tripeptide
Descriptor: AlgW protein, TRP-VAL-PHE
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO2
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BU of 7co2 by Molmil
HtrA-type protease AlgW with tripeptide
Descriptor: AlgW protein, IMIDAZOLE, TRP-VAL-PHE
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO7
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BU of 7co7 by Molmil
HtrA-type protease AlgWS227A with decapeptide
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-04
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
4FCB
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BU of 4fcb by Molmil
Potent and Selective Phosphodiesterase 10A Inhibitors
Descriptor: 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Parris, K.D.
Deposit date:2012-05-24
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4FCD
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BU of 4fcd by Molmil
Potent and Selective Phosphodiesterase 10A Inhibitors
Descriptor: 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ...
Authors:Parris, K.D.
Deposit date:2012-05-24
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3LXG
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BU of 3lxg by Molmil
Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3
Descriptor: 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ...
Authors:Mosbacher, T, Jestel, A, Steinbacher, S.
Deposit date:2010-02-25
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.
J.Med.Chem., 53, 2010
3SN7
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BU of 3sn7 by Molmil
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Descriptor: 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Parris, K.D.
Deposit date:2011-06-28
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011

222415

数据于2024-07-10公开中

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