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9B0Z
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BU of 9b0z by Molmil
Structure of Optineurin bound to HOIP NZF1 domain and M1-linked diubiquitin, crystal form 2
Descriptor: E3 ubiquitin-protein ligase RNF31, Optineurin, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-12
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
Descriptor: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
Authors:Cao, D, Zhiyan, D, Xiong, B.
Deposit date:2023-09-25
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
9C5S
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BU of 9c5s by Molmil
Disulfide-linked, antiparallel p53-derived peptide dimer (CV1)
Descriptor: Cellular tumor antigen p53, SULFATE ION
Authors:Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K.
Deposit date:2024-06-06
Release date:2024-06-26
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structural Characterization of Disulfide-Linked p53-Derived Peptide Dimers.
Res Sq, 2024
8Y6F
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BU of 8y6f by Molmil
The crystal structure of MMPs cleavable human heavy chain ferritin
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin, ...
Authors:Yuan, C, Huang, M.
Deposit date:2024-02-02
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Engineered protein cages with enhanced extracellular drug release for elevated antitumor efficacy.
Int.J.Biol.Macromol., 267, 2024
8X5Y
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BU of 8x5y by Molmil
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with astemizole
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Histamine H1 receptor,Soluble cytochrome b562
Authors:Wang, D.D, Guo, Q, Tao, Y.Y.
Deposit date:2023-11-20
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
9B20
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BU of 9b20 by Molmil
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (AMP bound)
Descriptor: ADENOSINE MONOPHOSPHATE, ADP-ribose pyrophosphatase, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-14
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (AMP bound)
To be published
8VEC
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BU of 8vec by Molmil
Deep Mutational Scanning of SARS-CoV-2 PLpro
Descriptor: Papain-like protease nsp3, ZINC ION
Authors:Wu, X, Nguyen, J.V, Call, M.E, Call, M.J.
Deposit date:2023-12-18
Release date:2024-03-20
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational profiling of SARS-CoV-2 papain-like protease reveals requirements for function, structure, and drug escape.
Nat Commun, 15, 2024
8XHK
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BU of 8xhk by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE
Authors:Xu, M.J, Zhang, D.K.
Deposit date:2023-12-18
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
9ASZ
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BU of 9asz by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor
Descriptor: (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
8XT1
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BU of 8xt1 by Molmil
Cryo-EM structure of the human 39S mitoribosome with 5uM Tigecycline
Descriptor: 16s rRNA, 39S ribosomal protein L22, mitochondrial, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8W8T
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BU of 8w8t by Molmil
Crystal structure of human CLEC12A CRD
Descriptor: C-type lectin domain family 12 member A, SULFATE ION
Authors:Mori, S, Nagae, M, Yamasaki, S.
Deposit date:2023-09-04
Release date:2024-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
9C0C
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BU of 9c0c by Molmil
E.coli GroEL apoenzyme
Descriptor: 60 kDa chaperonin
Authors:Watson, E.R, Lander, G.C.
Deposit date:2024-05-25
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
8WOO
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BU of 8woo by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide and AMP-PNP bound state
Descriptor: ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ...
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8VSA
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BU of 8vsa by Molmil
Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site of E. coli 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Teran, D, Zhang, Y, Korostelev, A.A.
Deposit date:2024-01-23
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon.
Front Microbiol, 15, 2024
8XIM
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BU of 8xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
Descriptor: D-XYLOSE ISOMERASE, D-xylose, MAGNESIUM ION
Authors:Janin, J.
Deposit date:1992-04-01
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
9EWM
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BU of 9ewm by Molmil
Mpro from SARS-CoV-2 with R4Q R298Q double mutations
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8XDO
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BU of 8xdo by Molmil
O-methyltransferase from Lycoris longituba complexed with Mg and SAH
Descriptor: GLYCEROL, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Saw, Y.Y.H, Nakashima, Y, Morita, H.
Deposit date:2023-12-11
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
8XPT
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BU of 8xpt by Molmil
The Crystal Structure of EHMT1 from Biortus.
Descriptor: Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of EHMT1 from Biortus.
To Be Published
9EOW
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BU of 9eow by Molmil
The 5-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH
Descriptor: RNA (29-MER)
Authors:Wacker, A, Schwalbe, H.
Deposit date:2024-03-15
Release date:2024-06-19
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:The 5'-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH.
Nucleic Acids Res., 52, 2024
8VK4
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BU of 8vk4 by Molmil
Structure of mouse RyR1 in complex with S100A1 (high-Ca2+/CFF/ATP dataset)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
Authors:Weninger, G, Marks, A.R.
Deposit date:2024-01-08
Release date:2024-02-07
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into the regulation of RyR1 by S100A1.
Proc.Natl.Acad.Sci.USA, 121, 2024
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Hardy, F.J.
Deposit date:2024-03-21
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
8XVC
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BU of 8xvc by Molmil
CryoEM structure of ADP-DNA-MuB conformation1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent target DNA activator B
Authors:Zhao, X, Zhang, K, Li, S.
Deposit date:2024-01-14
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Elucidating the Architectural dynamics of MuB filaments in bacteriophage Mu DNA transposition.
Nat Commun, 15, 2024
9FX6
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BU of 9fx6 by Molmil
Crystal structure of Cryo2RT SARS-CoV-2 main protease at 100K
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Huang, C.Y, Aumonier, S, Mac Sweeney, A, Olieric, V, Wang, M.
Deposit date:2024-07-01
Release date:2024-07-31
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
8VRM
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BU of 8vrm by Molmil
Crystal structure of the Pcryo_0619 N-acetyltransferase from Psychrobacter cryohalolentis K5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Acetyltransferase, ...
Authors:Dunsirn, M.M, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-01-22
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published

224004

數據於2024-08-21公開中

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