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9EOJ
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BU of 9eoj by Molmil
Vertebrate microtubule-capping gamma-tubulin ring complex
Descriptor: Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ...
Authors:Vermeulen, B.J.A, Pfeffer, S.
Deposit date:2024-03-15
Release date:2024-04-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (17 Å)
Cite:gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
8VR2
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BU of 8vr2 by Molmil
Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-01-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 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
8VR3
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BU of 8vr3 by Molmil
crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine
Descriptor: 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ...
Authors:Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-01-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2 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
8OUT
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BU of 8out by Molmil
CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22
Descriptor: (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12
Authors:Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B.
Deposit date:2023-04-24
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
8YK2
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BU of 8yk2 by Molmil
Blood group B alpha-1,3-galactosidase AgaBb from Bifidobacterium bifidum, construct T7-tag_24-700
Descriptor: Alpha-galactosidase, GLYCEROL, SODIUM ION, ...
Authors:Kashima, T, Akama, M, Ashida, H, Fushinobu, S.
Deposit date:2024-03-04
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of Bifidobacterium bifidum Glycoside Hydrolase Family 110 alpha-Galactosidase Specific for Blood Group B Antigen
J.Appl.Glyosci., 2024
6XGX
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BU of 6xgx by Molmil
ISCth4 transposase, strand transfer complex 1, STC1
Descriptor: DNA (21-MER), DNA (25-MER), DNA (47-MER), ...
Authors:Kosek, D, Dyda, F.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition.
Embo J., 40, 2021
8VR5
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BU of 8vr5 by Molmil
crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate
Descriptor: 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-01-20
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.2 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
7NP5
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BU of 7np5 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma
Authors:Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.85 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
7NEC
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BU of 7nec by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
Authors:Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-03
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NP6
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BU of 7np6 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
Authors:Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
9F0E
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BU of 9f0e by Molmil
Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
Descriptor: DNA (5'-D(P*CP*GP*TP*TP*AP*AP*AP*GP*C)-3'), PHOSPHATE ION, Transcription factor CBF/NF-Y/archaeal histone domain-containing protein
Authors:Hu, Y, Albrecht, R, Hartmann, M.D.
Deposit date:2024-04-15
Release date:2024-06-26
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 52, 2024
8WO0
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BU of 8wo0 by Molmil
CryoEM structure of ZIKV rsNS1 filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
Authors:Chew, B.L.A, Luo, D.
Deposit date:2023-10-06
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structural basis of Zika virus NS1 multimerization and human antibody recognition
Npj Viruses, 2, 2024
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
8WN8
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BU of 8wn8 by Molmil
CryoEM structure of ZIKV rsNS1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
Authors:Chew, B.L.A, Luo, D.
Deposit date:2023-10-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of Zika virus NS1 multimerization and human antibody recognition
Npj Viruses, 2, 2024
8WO4
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BU of 8wo4 by Molmil
ZIKV rsNS1 in complex with Fab EB9 and anti-fab nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-fab nanobody, Non-structural protein 1, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2023-10-06
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of Zika virus NS1 multimerization and human antibody recognition
Npj Viruses, 2, 2024
8WNP
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BU of 8wnp by Molmil
ZIKV rsNS1 in complex with Fab AA12 and anti-fab nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-fab nanobody, Non-structural protein 1, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2023-10-06
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of Zika virus NS1 multimerization and human antibody recognition
Npj Viruses, 2, 2024
6XPT
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BU of 6xpt by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to UDP
Descriptor: MAGNESIUM ION, Nucleoside diphosphate kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XPS
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BU of 6xps by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
7S6J
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BU of 7s6j by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XWT
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BU of 6xwt by Molmil
drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment
Descriptor: Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4
Authors:Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
Deposit date:2020-01-24
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
7S6K
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BU of 7s6k by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
6TZQ
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BU of 6tzq by Molmil
A DNA G-quadruplex/i-motif hybrid
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*CP*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
Descriptor: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023

224004

PDB entries from 2024-08-21

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