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7WKU
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BU of 7wku by Molmil
Structure of PDCoV Mpro in complex with an inhibitor
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30
Authors:Wang, F.H, Yang, H.T.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals.
Viruses, 14, 2022
7Y3Y
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BU of 7y3y by Molmil
Crystal structure of BTG13 mutant (T299V)
Descriptor: FE (III) ION, GLYCEROL, questin oxidase BTG13
Authors:Hou, X.D, Fu, K, Rao, Y.J.
Deposit date:2022-06-13
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
7Y3X
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BU of 7y3x by Molmil
Crystal structure of BTG13 mutant (H58F)
Descriptor: FE (III) ION, GLYCEROL, Questin oxidase
Authors:Hou, X.D, Rao, Y.J.
Deposit date:2022-06-13
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
7Y3W
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BU of 7y3w by Molmil
Crystal structure of an questin oxidase (BTG13) from Cercospora sp. JNU001
Descriptor: FE (III) ION, GLYCEROL, questin oxidase
Authors:Hou, X.D, Fu, K, Rao, Y.J.
Deposit date:2022-06-13
Release date:2022-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
8JMT
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BU of 8jmt by Molmil
Structure of the adhesion GPCR ADGRL3 in the apo state
Descriptor: Adhesion G protein-coupled receptor L3,Soluble cytochrome b562
Authors:Tao, Y, Guo, Q, He, B, Zhong, Y.
Deposit date:2023-06-05
Release date:2023-09-06
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8JJ8
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BU of 8jj8 by Molmil
Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist
Descriptor: Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-29
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8JJL
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BU of 8jjl by Molmil
cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist
Descriptor: Beta-2 adrenergic receptor,Soluble cytochrome b562, Olodaterol
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8J7E
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BU of 8j7e by Molmil
Crystal structure of BRIL in complex with 1b3 Fab
Descriptor: Antibody 1b3 Fab Heavy chain, Antibody 1b3 Fab Light chain, Soluble cytochrome b562
Authors:Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-04-27
Release date:2023-09-06
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8JJO
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BU of 8jjo by Molmil
Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562
Authors:He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y.
Deposit date:2023-05-31
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
8KIF
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BU of 8kif by Molmil
The structure of MmaE with substrate
Descriptor: (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase
Authors:Chen, J, Zhou, J.
Deposit date:2023-08-23
Release date:2024-04-17
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024
8KHT
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BU of 8kht by Molmil
The structure of Rv0097 with substrate
Descriptor: (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Oxidoreductase
Authors:Chen, J, Zhou, J.
Deposit date:2023-08-22
Release date:2024-04-17
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024
7X4B
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BU of 7x4b by Molmil
Crystal Structure of An Anti-CRISPR Protein
Descriptor: Anti-CRISPR protein (AcrIIC1), SULFATE ION
Authors:Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J.
Deposit date:2022-03-02
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
7VW5
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BU of 7vw5 by Molmil
Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-11-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
7VB4
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BU of 7vb4 by Molmil
A crystal structure of alphavirus nonstructural protein 4 (nsP4) reveals an intrinsically dynamic RNA-dependent RNA polymerase
Descriptor: GLYCEROL, MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-08-30
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
7XJP
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BU of 7xjp by Molmil
Cryo-EM structure of EDS1 and SAG101 with ATP-APDR
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ...
Authors:Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J.
Deposit date:2022-04-18
Release date:2022-07-20
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7VGI
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BU of 7vgi by Molmil
Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2P state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
Authors:Chen, M.T, Chen, Y.
Deposit date:2021-09-16
Release date:2022-03-30
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VGJ
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BU of 7vgj by Molmil
Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2Pi-PS state
Descriptor: Cell cycle control protein 50A, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Phospholipid-transporting ATPase IC
Authors:Chen, M.T, Chen, Y, Chen, Z.P, Zhou, C.Z, Hou, W.T, Chen, Y.
Deposit date:2021-09-16
Release date:2022-03-30
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VGH
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BU of 7vgh by Molmil
Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50B in the auto-inhibited E2P state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50B, ...
Authors:Chen, M.T, Chen, Y.
Deposit date:2021-09-16
Release date:2022-03-30
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XME
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BU of 7xme by Molmil
Structure of Influenza A virus polymerase basic protein 2 (PB2) with an azazindole derivative
Descriptor: (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, IODIDE ION, Polymerase basic protein 2
Authors:Zhang, Z.
Deposit date:2022-04-25
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.521 Å)
Cite:Discovery of a novel azaindole derivatives targeting the influenza PB2 cap binding region
To Be Published
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Authors:Song, W, Jia, A, Huang, S, Chai, J.
Deposit date:2022-05-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
7W3R
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BU of 7w3r by Molmil
USP34 catalytic domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2021-11-26
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
7W3U
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BU of 7w3u by Molmil
USP34 catalytic domain in complex with UbPA
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION, ...
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2021-11-26
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
7UED
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BU of 7ued by Molmil
Crystal structure of full length mesothelin bound with MORAb-009 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Isoform 4 of Mesothelin, ...
Authors:Zhan, J, Esser, L, Lin, D, Tang, W.K, Xia, D.
Deposit date:2022-03-21
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
7D1X
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BU of 7d1x by Molmil
Crystal structure of 7-alpha-hydroxyl bile acid sulfotransferase (Sult2a8)
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHOLIC ACID, Sulfotransferase
Authors:Au, W.N.S, Wang, K.
Deposit date:2020-09-15
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of sulfotransferase Sult2A8 reveals the distinct mode of substrate binding for sulfonation at 7-hydroxyl group
To be published

224572

PDB entries from 2024-09-04

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