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9BPF
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BU of 9bpf by Molmil
Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Chen, P, Arutyunova, E, Lemieux, M.J.
Deposit date:2024-05-07
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (Mpro) of SARS-CoV-2 and MERS-CoV
Jacs Au, 2024
8VFP
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BU of 8vfp by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid
Descriptor: 4-METHYLBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8WIH
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BU of 8wih by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION
Authors:Qiao, H, Wang, Z, Wang, J, Fang, P.
Deposit date:2023-09-24
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
9EMV
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BU of 9emv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-11
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8X6P
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BU of 8x6p by Molmil
Isomerase Protein
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
Authors:Guven, O, Demirci, H.
Deposit date:2023-11-21
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Isomerase Protein
To Be Published
9EP4
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BU of 9ep4 by Molmil
Structure of Integrator subcomplex INTS5/8/15
Descriptor: Integrator complex subunit 15, Integrator complex subunit 5, Integrator complex subunit 8
Authors:Razew, M, Galej, W.P.
Deposit date:2024-03-17
Release date:2024-06-12
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 84, 2024
9C0D
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BU of 9c0d by Molmil
E.Faecium GroEL
Descriptor: Chaperonin GroEL
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 (3.97 Å)
Cite:Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
8XPD
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BU of 8xpd by Molmil
Crystal structure of Tris-bound TsaBgl (DATA II)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, beta-glucosidase
Authors:Nam, K.H.
Deposit date:2024-01-03
Release date:2024-01-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of Tris binding in beta-glucosidases.
Biochem.Biophys.Res.Commun., 700, 2024
8WBP
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BU of 8wbp by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q
Descriptor: Epoxide hydrolase
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
9EWX
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BU of 9ewx by Molmil
Cryo-EM structure of the Pseudomonas aeruginosa PAO1 Type IV pilus
Descriptor: Pilin
Authors:Ochner, H, Boehning, J, Wang, Z, Tarafder, A, Caspy, I, Bharat, T.A.M.
Deposit date:2024-04-05
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structure of the Pseudomonas aeruginosa PAO1 Type-IV pilus
To Be Published
8XPC
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BU of 8xpc by Molmil
Crystal structure of Tris-bound TsaBgl (DATA I)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, beta-glucosidase
Authors:Nam, K.H.
Deposit date:2024-01-03
Release date:2024-01-31
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of Tris binding in beta-glucosidases.
Biochem.Biophys.Res.Commun., 700, 2024
8VI5
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BU of 8vi5 by Molmil
TehA from Haemophilus influenzae purified in OG
Descriptor: Tellurite resistance protein TehA homolog
Authors:Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G.
Deposit date:2024-01-03
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
8XCG
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BU of 8xcg by Molmil
Tail tip complex of bacteriophage lambda in the open state
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Ge, X.F, Wang, J.W.
Deposit date:2023-12-09
Release date:2024-05-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural mechanism of bacteriophage lambda tail's interaction with the bacterial receptor.
Nat Commun, 15, 2024
8WX4
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BU of 8wx4 by Molmil
Cryo-EM structure of human SLC15A4 in complex with Lys-Leu (outward-facing open)
Descriptor: LEUCINE, LYSINE, Solute carrier family 15 member 4
Authors:Sakaniwa, K, Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2023-10-27
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structure of human SLC15A4 in complex with Lys-Leu (outward-facing open)
To Be Published
8W1I
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BU of 8w1i by Molmil
Cryo-EM structure of BTV subcore
Descriptor: Core protein VP3
Authors:Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H.
Deposit date:2024-02-16
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
9AUM
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BU of 9aum by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
8VDA
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BU of 8vda by Molmil
Crystal structure of Bacillus subtilis FabHA-coenzyme A complex
Descriptor: Beta-ketoacyl-[acyl-carrier-protein] synthase III 1, COENZYME A
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
8XAB
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BU of 8xab by Molmil
Crystal structure of Ubl1 domain of nonstructural protein 3 of SARS-CoV-2
Descriptor: GLYCEROL, Papain-like protease nsp3
Authors:Li, Y, Ke, Z.
Deposit date:2023-12-03
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:N-terminus of SARS-CoV-2 Nsp3 Interrupts RNA-driven Phase Separation of N Protein by Displacing RNA
To Be Published
9COJ
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BU of 9coj by Molmil
SH3-like tandem domain of human KIN protein
Descriptor: DNA/RNA-binding protein KIN17
Authors:de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P.
Deposit date:2024-07-16
Release date:2024-07-31
Method:SOLUTION NMR
Cite:Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides
To Be Published
8YPK
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BU of 8ypk by Molmil
mouse proteasome 20S subunit in complex with compound 1
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Kashima, A, Arai, Y.
Deposit date:2024-03-17
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor.
Bioorg.Med.Chem., 109, 2024
9EYW
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BU of 9eyw by Molmil
Human PRMT5 in complex with AZ compound 21
Descriptor: (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
9EYV
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BU of 9eyv by Molmil
Human PRMT5 in complex with AZ compound 12
Descriptor: (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
8Y4J
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BU of 8y4j by Molmil
Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to D-KDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-2-keto-3-deoxypentonate, DI(HYDROXYETHYL)ETHER, ...
Authors:Akagashi, M, Watanabe, S.
Deposit date:2024-01-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Sci Rep, 14, 2024
8W9B
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BU of 8w9b by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
Descriptor: 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8VYC
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BU of 8vyc by Molmil
Graspetide pre-fuscimiditide A1C/T3C variant
Descriptor: ATP-grasp target RiPP
Authors:Link, A.J, Choi, B.
Deposit date:2024-02-08
Release date:2024-05-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Cyclic Peptides from Graspetide Biosynthesis and Native Chemical Ligation.
J.Am.Chem.Soc., 146, 2024

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PDB entries from 2024-08-21

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