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9ENT
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BU of 9ent by Molmil
SSX structure of Autotaxin in cryogenic conditions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-13
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 2024
9FDV
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BU of 9fdv by Molmil
Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FQI
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BU of 9fqi by Molmil
E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)
Descriptor: 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
9BCU
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BU of 9bcu by Molmil
Cryo-EM structure of Thermococcus kodakarensis FttA-dependent transcription pre-termination complex containing 52 nt RNA
Descriptor: DNA-directed RNA polymerase subunit A", DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit B, ...
Authors:You, L, Ebright, R.H.
Deposit date:2024-04-09
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structural basis of archaeal FttA-dependent transcription termination
To Be Published
7O2K
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BU of 7o2k by Molmil
NMR solution structue of cytotoxin 2 from Naja Kaouthia
Descriptor: Cytotoxin 2
Authors:Dubinnyi, M.A, Dubovskii, P.V.
Deposit date:2021-03-30
Release date:2021-06-02
Method:SOLUTION NMR
Cite:The omega-loop of cobra cytotoxins tolerates multiple amino acid substitutions.
Biochem.Biophys.Res.Commun., 558, 2021
9FE5
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BU of 9fe5 by Molmil
Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FQJ
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BU of 9fqj by Molmil
E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)
Descriptor: 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.563 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
9AZJ
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BU of 9azj by Molmil
Structure of ubiquitinated NEMO UBAN K285C-Ub G76C bound to HOIP NZF1
Descriptor: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
7OH7
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BU of 7oh7 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
9FE8
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BU of 9fe8 by Molmil
Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9G7K
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BU of 9g7k by Molmil
Staphylococcus aureus MazF in complex with Nanobody 12
Descriptor: CHLORIDE ION, Endoribonuclease MazF, Nanobody 12, ...
Authors:Zorzini, V, Haesaerts, S, Loris, R.
Deposit date:2024-07-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.086874 Å)
Cite:Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
To Be Published
7OA2
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BU of 7oa2 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate
Descriptor: POTASSIUM ION, PYROPHOSPHATE 2-, Triphosphate tunnel metalloenzyme Saci_0718
Authors:Vogt, M.S, Essen, L.-O, Banerjee, A.
Deposit date:2021-04-19
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
9B68
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BU of 9b68 by Molmil
GluA2 flip Q in complex with TARPgamma2 at pH8, class1, structure of NTD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Flip of Glutamate receptor 2, ...
Authors:Nakagawa, T, Greger, I.H.
Deposit date:2024-03-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization
To Be Published
9FIH
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BU of 9fih by Molmil
Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FJC
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BU of 9fjc by Molmil
Compact CVB1-VLP (Tween80)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Plavec, Z, Butcher, S.J.
Deposit date:2024-05-30
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
9F1I
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BU of 9f1i by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid, Heavy chain rabbit fab, ...
Authors:Halldorsson, S.
Deposit date:2024-04-19
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
7OD4
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BU of 7od4 by Molmil
Hepatitis B core protein.
Descriptor: External core antigen
Authors:Bottcher, B, Makbul, C.
Deposit date:2021-04-28
Release date:2021-06-02
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
9FZC
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BU of 9fzc by Molmil
Structure of OmpA-short in complex with nanobody Nb01
Descriptor: CALCIUM ION, N-OCTANE, Nanobody 01, ...
Authors:Ackle, F, Sorgenfrei, M, Seeger, M.A.
Deposit date:2024-07-05
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rapid detection and capture of clinical Escherichia coli strains mediated by OmpA-targeting nanobodies
To Be Published
9FX5
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BU of 9fx5 by Molmil
Crystal structure of Cryo2RT Thaumatin at 296K
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Huang, C.Y, Aumonier, S, Olieric, V, Wang, M.
Deposit date:2024-07-01
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryocooled crystals.
Acta Crystallogr D Struct Biol, 2024
4EIJ
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BU of 4eij by Molmil
Structure of the Mumps virus phosphoprotein oligomerization domain
Descriptor: GLYCEROL, P protein
Authors:Cox, R, Green, T.J, Luo, M.
Deposit date:2012-04-05
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2001 Å)
Cite:Structural and functional characterization of the mumps virus phosphoprotein.
J.Virol., 87, 2013
9FX4
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BU of 9fx4 by Molmil
Crystal structure of Cryo2RT Thaumatin at 100K
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Huang, C.Y, Aumonier, S, Olieric, V, Wang, M.
Deposit date:2024-07-01
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryocooled crystals.
Acta Crystallogr D Struct Biol, 2024
9FZK
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BU of 9fzk by Molmil
SARS CoV-2 nsp10 in complex with theExoN domain from nsp14
Descriptor: Guanine-N7 methyltransferase nsp14, Non-structural protein 11, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2024-07-05
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:SARS CoV-2 nsp10 in complex with theExoN domain from nsp14
To Be Published
7OJ5
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BU of 7oj5 by Molmil
Cryo-EM structure of Medicago truncatula HISN5 protein
Descriptor: Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION
Authors:Ruszkowski, M, Witek, W.
Deposit date:2021-05-13
Release date:2021-06-02
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM and crystal structures of a herbicide development target, HISN5
To Be Published
9FIJ
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BU of 9fij by Molmil
Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9INT
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BU of 9int by Molmil
Crystal structure of the complex of the beta,kappa-carrageenase Cgbk16A from Wenyingzhuangia fucanilytica with an oligosaccharide of furcellaran
Descriptor: 3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose, GH16 domain-containing protein
Authors:Chang, Y, Chen, F.
Deposit date:2024-07-08
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insights into the substrate recognition and catalytic mechanism of a beta,kappa-carrageenase from Wenyingzhuangia fucanilytica
To Be Published

223532

PDB entries from 2024-08-07

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