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1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
7UIE
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BU of 7uie by Molmil
Crystal structure of HcE-JLE-G6
Descriptor: Botulinum neurotoxin E heavy chain, JLE-G6
Authors:Jin, R, Lam, K.
Deposit date:2022-03-29
Release date:2023-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
6VVJ
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BU of 6vvj by Molmil
Cap1G-TPUA
Descriptor: RNA (130-MER)
Authors:Summers, M.F, Brown, J.D.
Deposit date:2020-02-18
Release date:2020-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for transcriptional start site control of HIV-1 RNA fate.
Science, 368, 2020
6VU1
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BU of 6vu1 by Molmil
Cap3G-TAR-F1 is an RNA hairpin. The 1H-1H NOESY data was collected at 308 K in 10 mM KH2PO4 pH 7.4.
Descriptor: RNA (34-MER)
Authors:Summers, M.F, Brown, J.D.
Deposit date:2020-02-14
Release date:2020-04-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for transcriptional start site control of HIV-1 RNA fate.
Science, 368, 2020
6Z14
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BU of 6z14 by Molmil
Structure of Bifidobacterium bifidum GH20 beta-N-beta-N-acetylhexosaminidase E553Q variant in complex with 4MU-6SGlcNAc-derived oxazoline
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylhexosaminidase, NITRATE ION, ...
Authors:He, Y, Jin, Y, Rizkallah, P, Chen, P.
Deposit date:2020-05-12
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure and activity of the GH20 beta-N-beta-N-acetylhexosaminidase from Bifidobacterium bifidum
To Be Published
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-05-13
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
Descriptor: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z, Lin, Z.
Deposit date:2022-05-13
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSA
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BU of 7xsa by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
Descriptor: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z.
Deposit date:2022-05-13
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
Descriptor: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
Authors:Wang, X, Wang, Z, Gao, M.
Deposit date:2022-05-13
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7FJO
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BU of 7fjo by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
7FJN
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BU of 7fjn by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
7FJS
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BU of 7fjs by Molmil
Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
3SC1
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BU of 3sc1 by Molmil
Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
Authors:Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C.
Deposit date:2011-06-06
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
2KNV
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BU of 2knv by Molmil
NMR dimer structure of the UBA domain of p62 (SQSTM1)
Descriptor: Sequestosome-1
Authors:Long, J.E, Searle, M.S.
Deposit date:2009-09-04
Release date:2009-12-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Dimerisation of the UBA Domain of p62 Inhibits Ubiquitin Binding and Regulates NF-kappaB Signalling
J.Mol.Biol., 2009
1GGG
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BU of 1ggg by Molmil
GLUTAMINE BINDING PROTEIN OPEN LIGAND-FREE STRUCTURE
Descriptor: GLUTAMINE BINDING PROTEIN
Authors:Hsiao, C.-D, Sun, Y.-J, Rose, J, Wang, B.-C.
Deposit date:1996-06-25
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of glutamine-binding protein from Escherichia coli.
J.Mol.Biol., 262, 1996
1NIY
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BU of 1niy by Molmil
THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: HAINANTOXIN-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2002-12-30
Release date:2003-01-14
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure-Activity Relationships of Hainantoxin-IV and Structure Determination of Active and Inactive Sodium Channel Blockers.
J.Biol.Chem., 279, 2004
7DUU
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BU of 7duu by Molmil
Crystal structure of HLA molecule with an KIR receptor
Descriptor: Beta-2-microglobulin, Killer cell immunoglobulin-like receptor 2DS2, LEU-ASN-PRO-SER-VAL-ALA-ALA-THR-LEU, ...
Authors:Yang, Y, Yin, L.
Deposit date:2021-01-11
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Activating receptor KIR2DS2 bound to HLA-C1 reveals the novel recognition features of activating receptor.
Immunology, 165, 2022
3GAR
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BU of 3gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
7CMD
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BU of 7cmd by Molmil
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
1WDN
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BU of 1wdn by Molmil
GLUTAMINE-BINDING PROTEIN
Descriptor: GLUTAMINE, GLUTAMINE BINDING PROTEIN
Authors:Sun, Y.-J, Rose, J, Wang, B.-C, Hsiao, C.-D.
Deposit date:1997-05-17
Release date:1998-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The structure of glutamine-binding protein complexed with glutamine at 1.94 A resolution: comparisons with other amino acid binding proteins.
J.Mol.Biol., 278, 1998
4ZYC
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BU of 4zyc by Molmil
Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode: Hdm2 (MDM2) complexed with cpd5
Descriptor: (S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode.
Bioorg.Med.Chem.Lett., 25, 2015
4ZYF
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BU of 4zyf by Molmil
Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with NVP-CGM097
Descriptor: (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
6DHL
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BU of 6dhl by Molmil
Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG)
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.624 Å)
Cite:Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
J. Biol. Chem., 286, 2011
8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
Authors:Lin, W, Xu, J.C.
Deposit date:2022-12-04
Release date:2023-06-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023

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數據於2024-07-17公開中

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