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8BU9
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BU of 8bu9 by Molmil
Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUS
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BU of 8bus by Molmil
Structure of DDB1 bound to DS59-engaged CDK12-cyclin K
Descriptor: 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUP
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BU of 8bup by Molmil
Structure of DDB1 bound to DS30-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUE
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BU of 8bue by Molmil
Structure of DDB1 bound to Z11-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUG
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BU of 8bug by Molmil
Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K
Descriptor: 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
6UTD
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BU of 6utd by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-29
Release date:2020-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
8BUH
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BU of 8buh by Molmil
Structure of DDB1 bound to WX3-engaged CDK12-cyclin K
Descriptor: 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
6S8C
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BU of 6s8c by Molmil
Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with longer stem
Descriptor: Genome polyprotein,Genome polyprotein
Authors:Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:2019-07-09
Release date:2020-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Extensive flavivirus E trimer breathing accompanies stem zippering of the post-fusion hairpin.
Embo Rep., 21, 2020
8C4D
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BU of 8c4d by Molmil
N-acetylmuramoyl-L-alanine amidase from Enterococcus faecium prophage genome
Descriptor: CHLORIDE ION, CITRATE ANION, N-acetylmuramoyl-L-alanine amidase, ...
Authors:Papageorgiou, A.C, Premetis, G.E, Labrou, N.E.
Deposit date:2023-01-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and functional features of a broad-spectrum prophage-encoded enzybiotic from Enterococcus faecium.
Sci Rep, 13, 2023
6XGF
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BU of 6xgf by Molmil
Escherichia coli transcription-translation complex B (TTC-B) containing an 30 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-06-17
Release date:2020-09-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6MYE
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BU of 6mye by Molmil
Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF)
Descriptor: FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ...
Authors:Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
6XIJ
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BU of 6xij by Molmil
Escherichia coli transcription-translation complex A (TTC-A) containing an 24 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-06-20
Release date:2020-09-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
7Q5Y
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BU of 7q5y by Molmil
Structure of NADH:ubichinon oxidoreductase (complex I) of the hyperthermophilic eubacterium Aquifex aeolicus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Warkentin, E, Ermler, U, Peng, G.
Deposit date:2021-11-05
Release date:2022-11-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of NADH:ubichinon oxidoreductase (complex I) of the hyperthermophilic eubacterium Aquifex aeolicus
To Be Published
1ALH
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BU of 1alh by Molmil
KINETICS AND CRYSTAL STRUCTURE OF A MUTANT E. COLI ALKALINE PHOSPHATASE (ASP-369-->ASN): A MECHANISM INVOLVING ONE ZINC PER ACTIVE SITE
Descriptor: ALKALINE PHOSPHATASE, PHOSPHATE ION, SULFATE ION, ...
Authors:Tibbitts, T.T, Xu, X, Kantrowitz, E.R.
Deposit date:1994-08-23
Release date:1995-02-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinetics and crystal structure of a mutant Escherichia coli alkaline phosphatase (Asp-369-->Asn): a mechanism involving one zinc per active site.
Protein Sci., 3, 1994
6NO6
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BU of 6no6 by Molmil
K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
6YAM
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BU of 6yam by Molmil
Mammalian 48S late-stage translation initiation complex (LS48S+eIF3 IC) with beta-globin mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ...
Authors:Bochler, A, Simonetti, A, Guca, E, Hashem, Y.
Deposit date:2020-03-12
Release date:2020-04-08
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Insights into the Mammalian Late-Stage Initiation Complexes.
Cell Rep, 31, 2020
6X7K
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BU of 6x7k by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B3 (TTC-B3) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
Deposit date:2020-05-30
Release date:2020-09-02
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6XDQ
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BU of 6xdq by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B3 (TTC-B3) containing an mRNA with a 30 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
Deposit date:2020-06-11
Release date:2020-09-02
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
6GQ3
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BU of 6gq3 by Molmil
Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ...
Authors:Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J.
Deposit date:2018-06-07
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
9H28
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BU of 9h28 by Molmil
Alternative conformation LGTV with TBEV prME
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-10-11
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:The influence of the pre-membrane and envelope proteins on structure, pathogenicity and tropism of tick-borne encephalitis virus
Biorxiv, 2024
6Q69
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BU of 6q69 by Molmil
Crystal structure of porcine ACBD3 GOLD domain in complex with 3A protein of enterovirus-G1
Descriptor: Genome polyprotein, Peripherial benzodiazepine receptor associated protein
Authors:Smola, M, Boura, E, Klima, M.
Deposit date:2018-12-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Arch. Virol., 165, 2020
6GMS
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BU of 6gms by Molmil
Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC)
Descriptor: Prepilin peptidase-dependent protein D
Authors:Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2018-05-28
Release date:2019-05-15
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
Descriptor: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
4YTY
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BU of 4yty by Molmil
Structure of rat xanthine oxidoreductase, C535A/C992R/C1324S, NADH bound form
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ...
Authors:Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F.
Deposit date:2015-03-18
Release date:2015-04-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015

238582

數據於2025-07-09公開中

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