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5I8U
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BU of 5i8u by Molmil
Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant
Descriptor: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B.
Deposit date:2016-02-19
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
5VDP
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BU of 5vdp by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',3'-cGAMP
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
6VTH
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BU of 6vth by Molmil
p53-specific T cell receptor
Descriptor: SULFATE ION, T-cell Receptor 12-6, Alfa chain, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-12
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
8VK9
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BU of 8vk9 by Molmil
Structure of UbV.d2.3 in complex with Ube2d2-S22R
Descriptor: GLYCEROL, Ubiquitin variant D2.3, Ubiquitin-conjugating enzyme E2 D2
Authors:Middleton, A.J.
Deposit date:2024-01-08
Release date:2024-09-25
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biophysical characterisation of ubiquitin variants that inhibit the ubiquitin conjugating enzyme Ube2d2.
Febs J., 291, 2024
6VIW
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BU of 6viw by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 18
Descriptor: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
Authors:Longenecker, K.L, Park, C.H, Qiu, W.
Deposit date:2020-01-14
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
8VQK
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BU of 8vqk by Molmil
YcjN from Escherichia coli
Descriptor: CADMIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Trevino, M.A, Fernandez, D, Sharaf, N.G.
Deposit date:2024-01-18
Release date:2024-10-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Expression, purification, and characterization of diacylated Lipo-YcjN from Escherichia coli.
J.Biol.Chem., 300, 2024
6VJ2
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BU of 6vj2 by Molmil
3.10 Angstrom Resolution Crystal Structure of Foldase Protein (PrsA) from Lactococcus lactis
Descriptor: Foldase
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-01-14
Release date:2020-02-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:3.10 Angstrom Resolution Crystal Structure of Foldase Protein (PrsA) from Lactococcus lactis
To Be Published
8VU3
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BU of 8vu3 by Molmil
Cryo-EM structure of cyanobacterial PSI with bound platinum nanoparticles
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Gisriel, C.J, Malavath, T, Brudvig, G.W, Utschig, L.M.
Deposit date:2024-01-28
Release date:2024-10-30
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Structure of a biohybrid photosystem I-platinum nanoparticle solar fuel catalyst.
Nat Commun, 15, 2024
5I9O
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BU of 5i9o by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K L103K at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-20
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K L103K at cryogenic temperature
To Be Published
8VX4
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BU of 8vx4 by Molmil
Human OGG1 bound to a 35-bp DNA with an 8-oxoG in the middle
Descriptor: DNA (35-MER), N-glycosylase/DNA lyase
Authors:You, Q, Li, H.
Deposit date:2024-02-03
Release date:2024-10-09
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Human 8-oxoguanine glycosylase OGG1 binds nucleosome at the dsDNA ends and the super-helical locations.
Commun Biol, 7, 2024
7LKL
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BU of 7lkl by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-02
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
8VOZ
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BU of 8voz by Molmil
Cryo-EM structure of the ABC transporter PCAT1 cysteine-free core bound with MgADP and substrate
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate, ABC-type bacteriocin transporter, ...
Authors:Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S.
Deposit date:2024-01-16
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
5VN6
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BU of 5vn6 by Molmil
Crystal structure of Taurine dioxygenase from Burkholderia ambifaria
Descriptor: MAGNESIUM ION, Taurine dioxygenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-28
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Taurine dioxygenase from Burkholderia ambifaria
TO BE PUBLISHED
8VJA
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BU of 8vja by Molmil
Cryo-EM of tail of bacteriophage Chi
Descriptor: Tail Tube
Authors:Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H.
Deposit date:2024-01-06
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of flagellotropic bacteriophage Chi.
Structure, 32, 2024
7LI5
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BU of 7li5 by Molmil
Crystal Structure Analysis of human TEAD1
Descriptor: 1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one, SULFATE ION, Transcriptional enhancer factor TEF-1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-01-26
Release date:2022-02-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure Analysis of human TEAD1
To Be Published
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
Descriptor: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-22
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
8VDO
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BU of 8vdo by Molmil
Cryogenic electron microscopy model of full-length talin lacking F2, R12 and FABD.
Descriptor: Green fluorescent protein,Talin-1
Authors:Izard, T, Rangarajan, E.S.
Deposit date:2023-12-16
Release date:2024-10-02
Last modified:2025-08-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:High-resolution snapshots of the talin auto-inhibitory states suggest roles in cell adhesion and signaling.
Nat Commun, 15, 2024
8VDP
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BU of 8vdp by Molmil
Cryogenic electron microscopy model of full-length talin without FABD
Descriptor: Green fluorescent protein,Talin-1
Authors:Izard, T, Rangarajan, E.S.
Deposit date:2023-12-17
Release date:2024-10-02
Last modified:2025-08-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-resolution snapshots of the talin auto-inhibitory states suggest roles in cell adhesion and signaling.
Nat Commun, 15, 2024
5IB7
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BU of 5ib7 by Molmil
Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet, near-cognate tRNALys with U-G mismatch in the A-site and antibiotic paromomycin
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2016-02-22
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The ribosome prohibits the GU wobble geometry at the first position of the codon-anticodon helix.
Nucleic Acids Res., 44, 2016
8VJM
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BU of 8vjm by Molmil
SpoIVFB(E44Q variant):pro-sigmaK complex
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Lauryl Maltose Neopentyl Glycol, RNA polymerase sigma-K factor, ...
Authors:Orlando, M.A, Pouillon, H.J.T, Mandal, S, Kroos, L, Orlando, B.J.
Deposit date:2024-01-07
Release date:2024-10-02
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Substrate engagement by the intramembrane metalloprotease SpoIVFB.
Nat Commun, 15, 2024
7LK0
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BU of 7lk0 by Molmil
Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148)
Descriptor: (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
Authors:Butrin, A, Shen, S, Liu, D, Silverman, R.
Deposit date:2021-02-01
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
8VJI
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BU of 8vji by Molmil
Cryo-EM of capsid of bacteriophage Chi
Descriptor: Decorator protein D, Major capsid protein
Authors:Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H.
Deposit date:2024-01-06
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of flagellotropic bacteriophage Chi.
Structure, 32, 2024
8VPV
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BU of 8vpv by Molmil
Class III PreQ1 riboswitch mutant delta84
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, RNA (101-MER)
Authors:Srivastava, Y, Jenkins, J.L, Wedekind, J.E.
Deposit date:2024-01-17
Release date:2024-10-02
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Two riboswitch classes that share a common ligand-binding fold show major differences in the ability to accommodate mutations.
Nucleic Acids Res., 52, 2024
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
6VN6
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BU of 6vn6 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 14
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020

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