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8V3K
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BU of 8v3k by Molmil
F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ...
Authors:Christianson, D.W, Eaton, S.A.
Deposit date:2023-11-28
Release date:2024-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
8V38
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BU of 8v38 by Molmil
Structure of the human systemic RNAi defective transmembrane protein 1 (hSIDT1)
Descriptor: SID1 transmembrane family member 1,RNA-directed RNA polymerase L
Authors:Navratna, V, Kumar, A, Rana, J.K, Mosalaganti, S.
Deposit date:2023-11-27
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human systemic RNAi defective transmembrane protein 1 (hSIDT1) reveals the conformational flexibility of its lipid binding domain
Life Sci Alliance, 2024
8V3B
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BU of 8v3b by Molmil
Computational Designed Nanocage O43_129_+4
Descriptor: O43_129_+4 component A, O43_129_+4 component B
Authors:Carr, K.D, Weidle, C, Borst, A.J.
Deposit date:2023-11-27
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8V31
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BU of 8v31 by Molmil
Structure of Alistipes sp. 3-Keto-2-hydroxy-glucal-hydratase AL2
Descriptor: Glycosyl hydrolase, MAGNESIUM ION
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-11-25
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria
To Be Published
8V2Y
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BU of 8v2y by Molmil
Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin
Authors:Ansari, A, Khan, S.A, Miller, A.F.
Deposit date:2023-11-24
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
8R7G
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BU of 8r7g by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
Descriptor: 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I
Authors:Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N.
Deposit date:2023-11-24
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
8V2N
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BU of 8v2n by Molmil
Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T.
Deposit date:2023-11-23
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
8R74
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Galectin-1 in complex with thiogalactoside derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1
Authors:Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U.
Deposit date:2023-11-23
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer.
J.Med.Chem., 67, 2024
8R6W
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BU of 8r6w by Molmil
Structure of the SFTSV L protein in a transcription-priming state with bound capped RNA [TRANSCRIPTION-PRIMING]
Descriptor: RNA (5'-R(*(M7G)*AP*AP*A)-3'), RNA (5'-R(*AP*CP*AP*C)-3'), RNA (5'-R(*AP*CP*AP*CP*AP*GP*AP*GP*AP*CP*GP*CP*CP*CP*AP*G)-3'), ...
Authors:Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
Deposit date:2023-11-23
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
8R6Y
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BU of 8r6y by Molmil
Structure of the SFTSV L protein stalled in a transcription-specific early elongation state with bound capped RNA [TRANSCRIPTION-EARLY-ELONGATION]
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, RNA (5'-R(*(M7G)*AP*AP*A)-3'), ...
Authors:Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
Deposit date:2023-11-23
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
8R6U
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BU of 8r6u by Molmil
Structure of the SFTSV L protein in a transcription-priming state without capped RNA [TRANSCRIPTION-PRIMING (in vitro)]
Descriptor: MAGNESIUM ION, RNA (5'-R(P*CP*UP*GP*GP*GP*CP*GP*GP*UP*CP*UP*UP*UP*GP*UP*GP*U)-3'), RNA primer, ...
Authors:Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
Deposit date:2023-11-23
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
8V2D
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BU of 8v2d by Molmil
Computational Designed Nanocage O43_129
Descriptor: O43_129 component A, O43_129 component B
Authors:Weidle, C, Kibler, R.D.
Deposit date:2023-11-22
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (6.77 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8R6F
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BU of 8r6f by Molmil
CryoEM structure of wheat 40S ribosomal subunit, body domain
Descriptor: 30S ribosomal protein S11, chloroplastic, 30S ribosomal protein S4, ...
Authors:Kravchenko, O.V, Baymukhametov, T.N, Afonina, Z.A, Vasilenko, K.S.
Deposit date:2023-11-22
Release date:2023-12-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:High-Resolution Structure and Internal Mobility of a Plant 40S Ribosomal Subunit.
Int J Mol Sci, 24, 2023
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
Descriptor: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
Authors:Cho, S.Y, Wilson, I.A.
Deposit date:2023-11-22
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8R6S
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BU of 8r6s by Molmil
Plastid-encoded RNA polymerase (Integrated model)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Webster, M.W, Pramanick, I, Vergara-Cruces, A.
Deposit date:2023-11-22
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Structure of the plant plastid-encoded RNA polymerase.
Cell, 187, 2024
8X6M
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BU of 8x6m by Molmil
Crystal Structure of Glycerol Dehydrogenase in the Presence of NAD+ and Glycerol
Descriptor: GLYCEROL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Park, T, Kang, J.Y, Jin, M, Yang, J, Kim, H, Noh, C, Eom, S.H.
Deposit date:2023-11-21
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the octamerization of glycerol dehydrogenase.
Plos One, 19, 2024
8X6G
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BU of 8x6g by Molmil
Cryo-EM structure of Staphylococcus aureus sigB-dependent RNAP-promoter open complex
Descriptor: DNA (70-mer), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yuan, L, Xu, L, Liu, Q, Feng, Y.
Deposit date:2023-11-21
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of promoter recognition by Staphylococcus aureus RNA polymerase.
Nat Commun, 15, 2024
8X6F
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BU of 8x6f by Molmil
Cryo-EM structure of Staphylococcus aureus sigA-dependent RNAP-promoter open complex
Descriptor: DNA (71-mer), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Yuan, L, Xu, L, Liu, Q, Feng, Y.
Deposit date:2023-11-21
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of promoter recognition by Staphylococcus aureus RNA polymerase.
Nat Commun, 15, 2024
8R67
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BU of 8r67 by Molmil
tubulin-cryptophycin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ...
Authors:Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E.
Deposit date:2023-11-21
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
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
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
Descriptor: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2023-11-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
8V1L
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BU of 8v1l by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with small molecule
Descriptor: N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P.
Deposit date:2023-11-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Identification of small molecule inhibitors of G3BP-driven stress granule formation.
J.Cell Biol., 223, 2024
8R62
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BU of 8r62 by Molmil
Solution structure of Risdiplam bound to the RNA duplex formed upon 5'-splice site recognition
Descriptor: 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Malard, F, Campagne, S.
Deposit date:2023-11-20
Release date:2024-03-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design.
Nucleic Acids Res., 52, 2024
8R65
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BU of 8r65 by Molmil
1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ...
Authors:Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
Deposit date:2023-11-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains
To Be Published
8R63
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Solution structure of branaplam bound to the RNA duplex formed upon 5'-splice site recognition
Descriptor: 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Malard, F, Campagne, S.
Deposit date:2023-11-20
Release date:2024-03-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design.
Nucleic Acids Res., 52, 2024

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PDB entries from 2024-06-26

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