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7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
Deposit date:2020-11-15
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
6LOQ
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BU of 6loq by Molmil
crystal structure of alpha-momorcharin in complex with cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.331 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOY
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BU of 6loy by Molmil
crystal structure of alpha-momorcharin in complex with dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
7VEO
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BU of 7veo by Molmil
Crystal structure of juvenile hormone acid methyltransferase silkworm JHAMT isoform3 complex with S-Adenosyl-L-homocysteine
Descriptor: Methyltranfer_dom domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-09-09
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7V50
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BU of 7v50 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V51
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BU of 7v51 by Molmil
BVMO_negative mutant D432V
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.-L.
Deposit date:2021-08-16
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
7V4X
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BU of 7v4x by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative flavin-binding monooxygenase
Authors:Wu, Y, Yu, H.
Deposit date:2021-08-15
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides.
CHINESE J CATAL, 51, 2023
3PFD
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BU of 3pfd by Molmil
Crystal structure of an Acyl-CoA dehydrogenase from Mycobacterium thermoresistibile bound to reduced flavin adenine dinucleotide solved by combined iodide ion SAD MR
Descriptor: Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, IODIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.STRUCT.FUNCT.GENOM., 12, 2011
3PGX
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BU of 3pgx by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium paratuberculosis bound to nicotinamide adenine dinucleotide
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, carveol dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-11-02
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3PXX
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BU of 3pxx by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to nicotinamide adenine dinucleotide
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-10
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
7V2S
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BU of 7v2s by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm
Descriptor: Methyltranfer_dom domain-containing protein
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-08-09
Release date:2022-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7EW9
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BU of 7ew9 by Molmil
GDP-bound KRAS G12D in complex with TH-Z816
Descriptor: 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2021-05-25
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWB
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BU of 7ewb by Molmil
GDP-bound KRAS G12D in complex with TH-Z835
Descriptor: 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2021-05-25
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWA
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BU of 7ewa by Molmil
GDP-bound KRAS G12D in complex with TH-Z827
Descriptor: 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2021-05-25
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
3OEC
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BU of 3oec by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
Descriptor: Carveol dehydrogenase (MythA.01326.c, A0R518 homolog), SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-12
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
8XVL
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BU of 8xvl by Molmil
Cryo-EM structure of ETAR bound with Zibotentan
Descriptor: Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
8XVI
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BU of 8xvi by Molmil
Cryo-EM structure of ETAR bound with Endothelin1
Descriptor: Endoglucanase H,Endothelin-1 receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
8XVJ
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BU of 8xvj by Molmil
Cryo-EM structure of ETAR bound with Macitentan
Descriptor: 6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-bromophenyl)-~{N}-(propylsulfamoyl)pyrimidin-4-amine, Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
8XVE
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BU of 8xve by Molmil
Cryo-EM structure of ETBR bound with BQ3020
Descriptor: BQ3020, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
8XVH
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BU of 8xvh by Molmil
Cryo-EM structure of ETBR bound with Endothelin1
Descriptor: Endothelin-1, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024

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