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5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
4E9U
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BU of 4e9u by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor
Descriptor: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION
Authors:Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9Z
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BU of 4e9z by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with quinuclidine BPH-651 in the S1 site
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4EA0
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BU of 4ea0 by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with diphosphate and quinuclidine BPH-651
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase, L(+)-TARTARIC ACID, ...
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEP
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BU of 8jep by Molmil
Crystal structure of Ociperlimab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8SG1
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BU of 8sg1 by Molmil
Cryo-EM structure of CMKLR1 signaling complex
Descriptor: CHOLESTEROL, Chemerin 9, Chemerin-like receptor 1, ...
Authors:Zhang, X, Zhang, C.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis of G protein-Coupled receptor CMKLR1 activation and signaling induced by a chemerin-derived agonist.
Plos Biol., 21, 2023
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
7VSK
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BU of 7vsk by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with pseudouridine.
Descriptor: 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-10-26
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7VKP
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BU of 7vkp by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK
Descriptor: PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-09-30
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7W93
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BU of 7w93 by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with N1-methyl-pseudouridine
Descriptor: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione, POTASSIUM ION, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-12-09
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
6L5R
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BU of 6l5r by Molmil
crystal structure of GgCGT in complex with UDP-Glu
Descriptor: 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GgCGT, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, M, Li, F.D, Ye, M.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6CHI
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BU of 6chi by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide
Descriptor: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E.
Deposit date:2018-02-22
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
6L5P
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BU of 6l5p by Molmil
crystal structure of GgCGT in complex with UDP-Glu
Descriptor: GgCGT, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Zhang, M, Li, F.D, Ye, M.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5S
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BU of 6l5s by Molmil
crystal structure of GgCGT in complex with UDP-Glu
Descriptor: 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GLYCEROL, GgCGT, ...
Authors:Zhang, M, Li, F.D, Ye, M.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5Q
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BU of 6l5q by Molmil
crystal structure of GgCGT in complex with UDP-Gal
Descriptor: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GgCGT
Authors:Zhang, M, Li, F.D, Ye, M.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L7H
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BU of 6l7h by Molmil
crystal structure of GgCGT in complex with UDP and Nothofagin
Descriptor: 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, GgCGT1, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, M, Li, F.D, Ye, M.
Deposit date:2019-11-01
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020

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