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8STG
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BU of 8stg by Molmil
Discovery and clinical validation of RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
Descriptor: Fibroblast growth factor receptor 2, N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Authors:Valverde, R, Foster, L.
Deposit date:2023-05-10
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations.
Cancer Discov, 13, 2023
6QEC
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BU of 6qec by Molmil
DNA binding domain of LUX ARRYTHMO in complex with DNA
Descriptor: DNA (5'-D(*AP*TP*TP*CP*GP*AP*AP*TP*AP*T*TP*AP*TP*AP*TP*TP*CP*GP*AP*A)-3'), GLYCEROL, Transcription factor LUX
Authors:Zubieta, C, Nayak, A.
Deposit date:2019-01-07
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanisms of Evening Complex activity inArabidopsis.
Proc.Natl.Acad.Sci.USA, 117, 2020
8T1O
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BU of 8t1o by Molmil
AP2 bound to MSP2N2 nanodisc with Tgn38 cargo peptide; composite map
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Baker, R.W, Cannon, K.S, Reta, S.
Deposit date:2023-06-02
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Lipid nanodiscs as a template for high-resolution cryo-EM structures of peripheral membrane proteins.
J.Struct.Biol., 215, 2023
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
1EVJ
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BU of 1evj by Molmil
CRYSTAL STRUCTURE OF GLUCOSE-FRUCTOSE OXIDOREDUCTASE (GFOR) DELTA1-22 S64D
Descriptor: GLUCOSE-FRUCTOSE OXIDOREDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lott, J.S, Halbig, D, Baker, H.M, Hardman, M.J, Sprenger, G.A, Baker, E.N.
Deposit date:2000-04-20
Release date:2000-12-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a truncated mutant of glucose-fructose oxidoreductase shows that an N-terminal arm controls tetramer formation.
J.Mol.Biol., 304, 2000
7PKB
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BU of 7pkb by Molmil
C-reactive protein pentamer at pH 7.5
Descriptor: C-reactive protein, CALCIUM ION
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
6U0W
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BU of 6u0w by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
Deposit date:2019-08-15
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
7PKF
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BU of 7pkf by Molmil
C-reactive protein decamer at pH 5
Descriptor: C-reactive protein, CALCIUM ION
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
8EMQ
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BU of 8emq by Molmil
Mouse apoferritin heavy chain with zinc determined using single-particle cryo-EM with Apollo camera.
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
Authors:Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M.
Deposit date:2022-09-28
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (1.66 Å)
Cite:Characterizing the resolution and throughput of the Apollo direct electron detector.
J Struct Biol X, 7, 2023
7PKD
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BU of 7pkd by Molmil
C-reactive protein decamer at pH 7.5 with phosphocholine ligand
Descriptor: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
7PKE
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BU of 7pke by Molmil
C-reactive protein pentamer at pH 7.5 with phosphocholine ligand
Descriptor: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
7PKH
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BU of 7pkh by Molmil
C-reactive protein decamer at pH 5 with phosphocholine ligand
Descriptor: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
8EN7
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BU of 8en7 by Molmil
Mouse apoferritin heavy chain without zinc determined using single-particle cryo-EM with Apollo camera.
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed
Authors:Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M.
Deposit date:2022-09-28
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (1.68 Å)
Cite:Characterizing the resolution and throughput of the Apollo direct electron detector.
J Struct Biol X, 7, 2023
6U4S
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BU of 6u4s by Molmil
wild type cysteine dioxygenase
Descriptor: Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
7PKG
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BU of 7pkg by Molmil
C-reactive protein pentamer at pH 5
Descriptor: C-reactive protein, CALCIUM ION
Authors:Noone, D.P, Sharp, T.H.
Deposit date:2021-08-25
Release date:2021-12-22
Last modified:2022-01-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
6XKL
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BU of 6xkl by Molmil
SARS-CoV-2 HexaPro S One RBD up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S.
Deposit date:2020-06-26
Release date:2020-07-15
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure-based design of prefusion-stabilized SARS-CoV-2 spikes.
Science, 369, 2020
1EUV
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BU of 1euv by Molmil
X-RAY STRUCTURE OF THE C-TERMINAL ULP1 PROTEASE DOMAIN IN COMPLEX WITH SMT3, THE YEAST ORTHOLOG OF SUMO.
Descriptor: UBITQUTIN-LIKE PROTEIN SMT3, ULP1 PROTEASE
Authors:Mossessova, E, Lima, C.D.
Deposit date:2000-04-17
Release date:2000-06-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ulp1-SUMO crystal structure and genetic analysis reveal conserved interactions and a regulatory element essential for cell growth in yeast.
Mol.Cell, 5, 2000
6ZFZ
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BU of 6zfz by Molmil
Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Rucktooa, P, Cooke, R.M.
Deposit date:2020-06-18
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZG9
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BU of 6zg9 by Molmil
Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ...
Authors:Rucktooa, P, Cooke, R.M.
Deposit date:2020-06-18
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZG4
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BU of 6zg4 by Molmil
Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A
Descriptor: Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ...
Authors:Rucktooa, P, Cooke, R.M.
Deposit date:2020-06-18
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
5WM9
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BU of 5wm9 by Molmil
Crystal Structure of TetR family regulator Rv0078 from Mycobacterium tuberculosis
Descriptor: Rv0078, SULFATE ION
Authors:Hsu, H.C, Li, H.
Deposit date:2017-07-28
Release date:2018-07-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85000288 Å)
Cite:Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
8EPJ
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BU of 8epj by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 17
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-10-05
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EGV
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BU of 8egv by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 12
Descriptor: (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-09-13
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EHP
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BU of 8ehp by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 13
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-09-14
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
8EID
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BU of 8eid by Molmil
Co-crystal structure of Chaetomium glucosidase with compound 14
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2022-09-14
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023

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