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3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
7NBS
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BU of 7nbs by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2021-01-27
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir
To Be Published
7NBR
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BU of 7nbr by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir
Descriptor: 3C-like proteinase, CHLORIDE ION, boceprevir (bound form)
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2021-01-27
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir
To Be Published
5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
Descriptor: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
Descriptor: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
Descriptor: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5H9G
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BU of 5h9g by Molmil
apo-ACP from Helicobacter pylori
Descriptor: Acyl carrier protein
Authors:Zhang, L, Zhang, L, Shen, X, Jiang, H.
Deposit date:2015-12-28
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:apo-ACP from Helicobacter pylori
To Be Published
5H9H
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BU of 5h9h by Molmil
holo acyl carrier protein (holo-ACP) from Helicobacter pylori
Descriptor: Acyl carrier protein
Authors:Zhang, L, Zhang, L, Shen, X, Jiang, H.
Deposit date:2015-12-28
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:holo acyl carrier protein (holo-ACP) from Helicobacter pylori
To Be Published
7W2I
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BU of 7w2i by Molmil
Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shang, L, Zhang, G.
Deposit date:2021-11-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 598, 2022
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
7ZJE
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BU of 7zje by Molmil
C16-2
Descriptor: Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein
Authors:Zhang, L, Gourdon, P, Zygmunt, P.M.
Deposit date:2022-04-10
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
7ZJI
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BU of 7zji by Molmil
Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein
Descriptor: Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein
Authors:Zhang, L, Gourdon, P, Zygmunt, P.M.
Deposit date:2022-04-11
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
7ZJD
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BU of 7zjd by Molmil
Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein
Descriptor: Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein
Authors:Zhang, L, Gourdon, P, Zygmunt, P.M.
Deposit date:2022-04-10
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
7ZJH
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BU of 7zjh by Molmil
TRPV2-C16+Pro-2
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Zhang, L, Gourdon, P, Zygmunt, P.M.
Deposit date:2022-04-11
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
7ZJG
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BU of 7zjg by Molmil
Probenecid
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Zhang, L, Gourdon, P, Zygmunt, P.M.
Deposit date:2022-04-11
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
3HIB
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BU of 3hib by Molmil
Crystal structure of the second Sec63 domain of yeast Brr2
Descriptor: Pre-mRNA-splicing helicase BRR2
Authors:Zhang, L, Xu, T, Zhao, R.
Deposit date:2009-05-19
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for consecutive Hel308-like modules in the spliceosomal ATPase Brr2.
Nat.Struct.Mol.Biol., 16, 2009
6KVM
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BU of 6kvm by Molmil
Crystal structure of Chicken MHC Class II for 1.9 angstrom
Descriptor: GLYCEROL, MHC class II alpha chain, MHC class II beta chain 2, ...
Authors:Zhang, L, Xia, C.
Deposit date:2019-09-04
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:A Newly Recognized Pairing Mechanism of the alpha- and beta-Chains of the Chicken Peptide-MHC Class II Complex.
J Immunol., 204, 2020
6KXW
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BU of 6kxw by Molmil
Crystal structure of human aquaporin AQP7 in bound to glycerol
Descriptor: Aquaporin-7, GLYCEROL
Authors:Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y.
Deposit date:2019-09-13
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The structural basis for glycerol permeation by human AQP7
Sci Bull (Beijing), 66, 2020
5MGY
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BU of 5mgy by Molmil
Crystal structure of Pseudomonas stutzeri flavinyl transferase ApbE, apo form
Descriptor: FAD:protein FMN transferase, MAGNESIUM ION
Authors:Zhang, L, Trncik, C, Andrade, S.L.A, Einsle, O.
Deposit date:2016-11-22
Release date:2016-12-14
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The flavinyl transferase ApbE of Pseudomonas stutzeri matures the NosR protein required for nitrous oxide reduction.
Biochim. Biophys. Acta, 1858, 2016
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6LKQ
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BU of 6lkq by Molmil
The Structural Basis for Inhibition of Ribosomal Translocation by Viomycin
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhang, L, Wang, Y.H, Lancaster, L, Zhou, J, Noller, H.F.
Deposit date:2019-12-20
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis for inhibition of ribosomal translocation by viomycin.
Proc.Natl.Acad.Sci.USA, 117, 2020

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