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9F1J
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BU of 9f1j by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]butanamide
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.13003039 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
to be published
9CF2
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BU of 9cf2 by Molmil
Parasitella parasitica Fanzor (PpFz) State 3
Descriptor: DNA (26-MER), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Xu, P, Saito, M, Zhang, F.
Deposit date:2024-06-27
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural insights into the diversity and DNA cleavage mechanism of Fanzor.
Cell, 2024
9FR2
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BU of 9fr2 by Molmil
CDK2 in complex with WEIZ-WX-04-001
Descriptor: 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride, Cyclin-dependent kinase 2
Authors:Wang, G.Q, Liu, Y.H, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-18
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CDK2 in complex with WEIZ-WX-04-001
To Be Published
9CBK
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BU of 9cbk by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ...
Authors:Goulart Stollmaier, J, Watson, P.R, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
9FJL
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BU of 9fjl by Molmil
Sulfolobus acidocaldarius NusA2 structure
Descriptor: Transcription elongation factor NusA, ZINC ION
Authors:Pilotto, S, Phung, D.K, Pinotsis, N.
Deposit date:2024-05-31
Release date:2024-09-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure, function and evolution of crenarchaeal NusA2
To Be Published
9EZ3
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BU of 9ez3 by Molmil
Crystal structure of human CLK3 bound to RN129
Descriptor: 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION
Authors:Kraemer, A, Raig, N, Knapp, S.
Deposit date:2024-04-10
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human CLK3 bound to RN129
To Be Published
9C3T
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BU of 9c3t by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTAAAC as recognition sequence
Descriptor: DNA1, DNA2, Methyltransferase, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2024-06-02
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9F1K
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BU of 9f1k by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30
Descriptor: 1,2-ETHANEDIOL, 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide, Bromodomain-containing protein 4
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30
to be published
9FTG
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BU of 9ftg by Molmil
Closed conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10 mM Ca2+
Descriptor: CALCIUM ION, Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
9CBM
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BU of 9cbm by Molmil
Cryo-EM structure of dexmedetomidine-bound alpha-2A-adrenergic receptor in complex with heterotrimeric Gi-protein
Descriptor: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Endolysin,Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Lou, J.S, Su, M, Wang, J, Do, H.N, Miao, Y, Huang, X.Y.
Deposit date:2024-06-19
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct binding conformations of epinephrine with alpha- and beta-adrenergic receptors.
Exp.Mol.Med., 2024
9J8E
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BU of 9j8e by Molmil
Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor
Descriptor: BIOTINYL-5-AMP, Bifunctional ligase/repressor BirA
Authors:Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H.
Deposit date:2024-08-21
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
9FJU
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BU of 9fju by Molmil
Structure of the DNase I- and phalloidin-bound pointed end of F-actin (conformer 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
Authors:Boiero Sanders, M, Oosterheert, W, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2024-05-31
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Phalloidin and DNase I-bound F-actin pointed end structures reveal principles of filament stabilization and disassembly
Nat Commun, 2024
9FTH
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BU of 9fth by Molmil
Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM Ca2+
Descriptor: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein
Authors:Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E.
Deposit date:2024-06-24
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
To Be Published
9F1F
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BU of 9f1f by Molmil
Remorin protein StREM13_160-198
Descriptor: Remorin
Authors:Xu, Z, Habenstein, B.
Deposit date:2024-04-18
Release date:2024-09-11
Method:SOLUTION NMR
Cite:Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins
To Be Published
8QF7
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BU of 8qf7 by Molmil
Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)phenylsulfonamido)methyl)phenyl)glycine
Descriptor: 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-09-04
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.225 Å)
Cite:Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)phenylsulfonamido)methyl)phenyl)glycine
To Be Published
9F1G
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BU of 9f1g by Molmil
Remorin protein StREM13_150-198
Descriptor: Remorin
Authors:Xu, Z, Habenstein, B.
Deposit date:2024-04-18
Release date:2024-09-11
Method:SOLUTION NMR
Cite:Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins
To Be Published
8QF0
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BU of 8qf0 by Molmil
Atomic structure of wormGDH
Descriptor: Glutamate dehydrogenase
Authors:Mourao, A, Geerlof, A, Sattler, M.
Deposit date:2023-09-01
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Atomic structure of wormGDH
To Be Published
8QCC
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BU of 8qcc by Molmil
E.coli IspE in complex with a ligand (1)
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hamid, R.
Deposit date:2023-08-25
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:E.coli IspE in complex with a ligand (1)
To Be Published
8QFK
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BU of 8qfk by Molmil
Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)methylsulfonamido)methyl)phenyl)glycine
Descriptor: 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-09-04
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)methylsulfonamido)methyl)phenyl)glycine
To Be Published
8QDT
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BU of 8qdt by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Descriptor: 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDW
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BU of 8qdw by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
Descriptor: N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QE7
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BU of 8qe7 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-(methylsulfonylmethyl)-1H-benzimidazole
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QA7
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BU of 8qa7 by Molmil
Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Sandmark, J, Ek, M.
Deposit date:2023-08-22
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component.
To Be Published
8QEK
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BU of 8qek by Molmil
Neck and tail of phage 812 after tail contraction (composite)
Descriptor: Anchor DNA forward strand (120-MER), Anchor DNA reverse strand (120-MER), Baseplate hub assembly protein, ...
Authors:Cienikova, Z, Siborova, M, Fuzik, T, Plevka, P.
Deposit date:2023-08-31
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Genome anchoring, retention, and release by neck proteins of Herelleviridae phage 812
To Be Published
8QDK
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BU of 8qdk by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
Descriptor: N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-29
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published

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PDB entries from 2024-09-18

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