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8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3L
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BU of 8h3l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3K
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BU of 8h3k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
3CYV
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BU of 3cyv by Molmil
Crystal structure of uroporphyrinogen decarboxylase from Shigella flexineri: new insights into its catalytic mechanism
Descriptor: Uroporphyrinogen decarboxylase
Authors:Liu, H, Zhou, H, Bi, R.
Deposit date:2008-04-26
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of uroporphyrinogen III decarboxylase from Shigella flexineri: new insights into its catalytic mechanism
To be Published
7VIC
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BU of 7vic by Molmil
The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase
Authors:Zhong, B, Chen, B, Zhou, H, Sun, L.
Deposit date:2021-09-26
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease.
Small Sci, 2, 2022
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
4Y25
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BU of 4y25 by Molmil
Bacterial polysaccharide outer membrane secretin
Descriptor: Poly-beta-1,6-N-acetyl-D-glucosamine export protein
Authors:Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y.
Deposit date:2015-02-09
Release date:2016-03-16
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
4ZRI
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BU of 4zri by Molmil
Crystal structure of Merlin-FERM and Lats2
Descriptor: Merlin, Serine/threonine-protein kinase LATS2
Authors:Li, F, Zhou, H, Long, J, Shen, Y.
Deposit date:2015-05-12
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
7VRB
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BU of 7vrb by Molmil
Structure of the Human BRG1/SS18 complex
Descriptor: SMARCA4 protein,Protein SSXT
Authors:Cheng, Y, Chen, F, Zhou, H, Long, J.
Deposit date:2021-10-22
Release date:2022-05-25
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:Phase transition and remodeling complex assembly are important for SS18-SSX oncogenic activity in synovial sarcomas.
Nat Commun, 13, 2022
5H4R
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BU of 5h4r by Molmil
the complex of Glycoside Hydrolase 5 Lichenase from Caldicellulosiruptor sp. F32 E188Q mutant and cellotetraose
Descriptor: Beta-1,3-1,4-glucanase, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Zhou, H, Liu, X, Wang, X, Feng, Y.
Deposit date:2016-11-02
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.70310438 Å)
Cite:Structural insights into the substrate specificity of a glycoside hydrolase family 5 lichenase from Caldicellulosiruptor sp. F32
Biochem. J., 474, 2017
5J0A
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BU of 5j0a by Molmil
Crystal structure of PDZ-binding kinase
Descriptor: 4'-HYDROXYCINNAMIC ACID, Lymphokine-activated killer T-cell-originated protein kinase, SULFATE ION
Authors:Zou, Q.W, Zhou, H, Yang, X.
Deposit date:2016-03-28
Release date:2016-09-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:The crystal structure of an inactive dimer of PDZ-binding kinase
Biochem.Biophys.Res.Commun., 476, 2016
5KWQ
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BU of 5kwq by Molmil
Two Tandem RRM Domains of FBP-Interacting Repressor (FIR), also Known as PUF60
Descriptor: Poly(U)-binding-splicing factor PUF60
Authors:Crichlow, G.V, Yang, Y, Zhou, H, Lolis, E.J, Braddock, D.T.
Deposit date:2016-07-18
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
7F42
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BU of 7f42 by Molmil
PARP15 catalytic domain in complex with Iniparib
Descriptor: 4-iodo-3-nitrobenzamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:PARP15 catalytic domain in complex with Iniparib
To Be Published
7F43
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BU of 7f43 by Molmil
PARP15 catalytic domain in complex with Niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
Authors:Zhou, X.L, Zhou, H, Li, J, Zhang, J.
Deposit date:2021-06-17
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PARP15 catalytic domain in complex with Niraparib
To Be Published
2HTJ
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BU of 2htj by Molmil
NMR structure of E.coli PapI
Descriptor: P fimbrial regulatory protein KS71A
Authors:Kawamura, T, Zhou, H, Le, L.U.K, Dahlquist, F.W.
Deposit date:2006-07-25
Release date:2007-01-30
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of Escherichia coli PapI, a Key Regulator of the Pap Pili Phase Variation.
J.Mol.Biol., 365, 2007
7DMC
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BU of 7dmc by Molmil
Dipyridamole binds to the N-terminal domain of human Hsp90A
Descriptor: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ...
Authors:Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
3EHQ
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BU of 3ehq by Molmil
Crystal Structure of Human Osteoclast Stimulating Factor
Descriptor: 1,2-ETHANEDIOL, Osteoclast-stimulating factor 1
Authors:Tong, S, Zhou, H, Gao, Y, Zhu, Z, Zhang, X, Teng, M, Niu, L.
Deposit date:2008-09-14
Release date:2009-08-04
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of human osteoclast stimulating factor
Proteins, 75, 2009
3EHR
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BU of 3ehr by Molmil
Crystal Structure of Human Osteoclast Stimulating Factor
Descriptor: Osteoclast-stimulating factor 1
Authors:Tong, S, Zhou, H, Gao, Y, Zhu, Z, Zhang, X, Teng, M, Niu, L.
Deposit date:2008-09-14
Release date:2009-08-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human osteoclast stimulating factor
Proteins, 75, 2009
2LP4
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BU of 2lp4 by Molmil
Solution structure of P1-CheY/P2 complex in bacterial chemotaxis
Descriptor: Chemotaxis protein CheA, Chemotaxis protein CheY
Authors:Dahlquist, F, Mo, G, Zhou, H, Kamamura, T.
Deposit date:2012-01-31
Release date:2012-10-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of a complex of the histidine autokinase CheA with its substrate CheY.
Biochemistry, 51, 2012
2LD6
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BU of 2ld6 by Molmil
Solution Structure of Histidine Phosphotransfer Domain of CheA
Descriptor: Chemotaxis protein CheA
Authors:Vu, A, Hamel, D.J, Zhou, H, Dahlquist, F.W.
Deposit date:2011-05-16
Release date:2011-10-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure and dynamic properties of the complete histidine phosphotransfer domain of the chemotaxis specific histidine autokinase CheA from Thermotoga maritima.
J.Biomol.Nmr, 51, 2011
2L4A
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BU of 2l4a by Molmil
NMR structure of the DNA-binding domain of E.coli Lrp
Descriptor: Leucine responsive regulatory protein
Authors:Kawamura, T, Zhou, H, Dahlquist, F.W.
Deposit date:2010-10-01
Release date:2011-03-09
Last modified:2011-08-24
Method:SOLUTION NMR
Cite:The design involved in PapI and Lrp regulation of the pap operon.
J.Mol.Biol., 409, 2011
2QAB
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BU of 2qab by Molmil
Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Descriptor: 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA6
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BU of 2qa6 by Molmil
Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Descriptor: 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QH6
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BU of 2qh6 by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
Descriptor: DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008

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