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4TUO
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BU of 4tuo by Molmil
Crystal structure of monoclonal antibody against neuroblastoma associated antigen.
Descriptor: Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G.
Deposit date:2014-06-24
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
6TXH
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BU of 6txh by Molmil
Crystal structure of thermotoga maritima Ferritin in apo form
Descriptor: EICOSANE, Ferritin, GLYCEROL, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXL
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BU of 6txl by Molmil
Crystal structure of thermotoga maritima E65Q Ferritin
Descriptor: EICOSANE, FE (III) ION, Ferritin, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXN
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BU of 6txn by Molmil
Crystal structure of thermotoga maritima Ferritin in apo form
Descriptor: EICOSANE, Ferritin, GLYCEROL, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXM
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BU of 6txm by Molmil
Crystal structure of thermotoga maritima E65R Ferritin
Descriptor: EICOSANE, Ferritin, GLYCEROL, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXJ
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BU of 6txj by Molmil
Crystal structure of thermotoga maritima A42V E65D Ferritin
Descriptor: EICOSANE, FE (III) ION, Ferritin, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S, Biela, A.P.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXK
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BU of 6txk by Molmil
Crystal structure of thermotoga maritima E65K Ferritin
Descriptor: EICOSANE, FE (III) ION, Ferritin, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
6TXI
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BU of 6txi by Molmil
Crystal structure of thermotoga maritima E65A Ferritin
Descriptor: EICOSANE, FE (III) ION, Ferritin, ...
Authors:Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S.
Deposit date:2020-01-14
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
4ZFI
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BU of 4zfi by Molmil
Structure of Mdm2 with low molecular weight inhibitor
Descriptor: (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2
Authors:Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2015-04-21
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
4ZGK
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BU of 4zgk by Molmil
Structure of Mdm2 with low molecular weight inhibitor.
Descriptor: (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2
Authors:Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2015-04-23
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
6R2N
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BU of 6r2n by Molmil
Crystal structure of KlGlk1 glucokinase from Kluyveromyces lactis
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Glucokinase-1
Authors:Zak, K, Wator, E, Grudnik, P.
Deposit date:2019-03-18
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Crystal Structure of Kluyveromyces lactis Glucokinase ( Kl Glk1).
Int J Mol Sci, 20, 2019
6SRU
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BU of 6sru by Molmil
Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1)
Descriptor: Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A.
Deposit date:2019-09-06
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.532 Å)
Cite:Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021
5N2F
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BU of 5n2f by Molmil
Structure of PD-L1/small-molecule inhibitor complex
Descriptor: 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1
Authors:Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-02-07
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
5N86
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BU of 5n86 by Molmil
Crystal structure of FAS1 domain of hyaluronic acid receptor stabilin-2
Descriptor: Stabilin-2
Authors:Twarda-Clapa, A, Labuzek, B, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-02-23
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2.
Acta Crystallogr D Struct Biol, 74, 2018
5NIU
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BU of 5niu by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A.
Deposit date:2017-03-27
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.
Oncotarget, 8, 2017
5N2D
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BU of 5n2d by Molmil
Structure of PD-L1/small-molecule inhibitor complex
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
Authors:Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-02-07
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
6ZQ5
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BU of 6zq5 by Molmil
Crystal structure of Chaetomium thermophilum Glycerol Kinase in P2221 space group
Descriptor: 1,2-ETHANEDIOL, Glycerol kinase-like protein
Authors:Wilk, P, Wator, E, Malecki, P, Grudnik, P.
Deposit date:2020-07-09
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
6ZQ8
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BU of 6zq8 by Molmil
Crystal structure of Chaetomium thermophilum Glycerol Kinase in P3221 space group
Descriptor: Glycerol kinase-like protein
Authors:Wilk, P, Wator, E, Malecki, P, Tokarz, P, Grudnik, P.
Deposit date:2020-07-09
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
6ZQ4
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BU of 6zq4 by Molmil
Crystal structure of Chaetomium thermophilum Glycerol Kinase in complex with substrate in P1 space group
Descriptor: GLYCEROL, Glycerol kinase-like protein, PHOSPHATE ION
Authors:Wilk, P, Wator, E, Grudnik, P.
Deposit date:2020-07-09
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
6ZQ6
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BU of 6zq6 by Molmil
Crystal structure of Chaetomium thermophilum Glycerol Kinase in complex with glycerol in P21212 space group
Descriptor: ACETATE ION, GLYCEROL, Glycerol kinase-like protein
Authors:Wilk, P, Wator, E, Grudnik, P.
Deposit date:2020-07-09
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
6ZQ7
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BU of 6zq7 by Molmil
Crystal structure of Chaetomium thermophilum Glycerol Kinase in I222 space group
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Glycerol kinase-like protein
Authors:Wilk, P, Wator, E, Grudnik, P.
Deposit date:2020-07-09
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
5NIF
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BU of 5nif by Molmil
Yeast 20S proteasome in complex with Blm-pep activator
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Witkowska, J, Grudnik, P, Golik, P, Dubin, G, Jankowska, E.
Deposit date:2017-03-23
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism.
Sci Rep, 7, 2017
6XXK
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BU of 6xxk by Molmil
Crystal Structure of Human Deoxyhypusine Synthase in complex with spermidine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Wator, E, Wilk, P, Grudnik, P.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
6XXI
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BU of 6xxi by Molmil
Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Wator, E, Wilk, P, Grudnik, P.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
6XXM
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BU of 6xxm by Molmil
Crystal Structure of Human Deoxyhypusine Synthase in complex with putrescine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIAMINOBUTANE, Deoxyhypusine synthase
Authors:Wator, E, Wilk, P, Grudnik, P.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020

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