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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
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.32 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
Last modified:2024-11-13
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
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
8HJ2
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BU of 8hj2 by Molmil
GPR21 wt with G15 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
Authors:Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2023-10-16
Release date:2024-02-28
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
4DMN
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BU of 4dmn by Molmil
HIV-1 Integrase Catalytical Core Domain
Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2012-02-08
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
Descriptor: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hong, B.
Deposit date:2019-07-09
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6LGT
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BU of 6lgt by Molmil
Complex structure of HPPD with an inhibitor Y16542
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ...
Authors:Lin, H.Y, Yang, W.C, Yang, G.F.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 68, 2020
4RDD
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BU of 4rdd by Molmil
Co-crystal structure of SHP2 in complex with a Cefsulodin derivative
Descriptor: 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Z.Y, Yu, Z.H, He, R, Zhang, R.Y.
Deposit date:2014-09-18
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
ACS Med Chem Lett, 6, 2015
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
Descriptor: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Lu, M, Wu, X.
Deposit date:2022-05-28
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
7E5X
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BU of 7e5x by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE apo form at 2.2 angstrom
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-02-21
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
4J51
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BU of 4j51 by Molmil
Cyrstal structure of protein tyrosine phosphatase Lyp catalytic domain complex with small molecular inhibitor L75N04
Descriptor: 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 22
Authors:Liu, D, He, Y, Zhang, Z.-Y.
Deposit date:2013-02-07
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Potent and Selective Small-Molecule Inhibitor for the Lymphoid-Specific Tyrosine Phosphatase (LYP), a Target Associated with Autoimmune Diseases.
J.Med.Chem., 56, 2013
7DVP
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BU of 7dvp by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate
Descriptor: 3C-like proteinase, nsp4/5 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-14
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW0
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BU of 7dw0 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate
Descriptor: 3C-like proteinase, nsp14/15 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DW6
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BU of 7dw6 by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate
Descriptor: 3C-like proteinase, nsp15/16 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVY
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BU of 7dvy by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate
Descriptor: 3C-like proteinase, nsp9/10 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVX
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BU of 7dvx by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate
Descriptor: 3C-like proteinase, nsp6/7 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVW
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BU of 7dvw by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
Descriptor: Spike protein S2,Spike protein S2
Authors:Sun, H, Song, H, Wang, Q.
Deposit date:2020-02-26
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020

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