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7PCB
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BU of 7pcb by Molmil
The PDZ domain of SNX27 fused with ANXA2
Descriptor: CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC7
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BU of 7pc7 by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC9
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BU of 7pc9 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7Q3F
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BU of 7q3f by Molmil
Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484
Descriptor: 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide, Bromodomain-containing protein 4
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2021-10-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation
J.Med.Chem., 65, 2022
7PC3
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BU of 7pc3 by Molmil
The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1
Descriptor: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7VB2
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BU of 7vb2 by Molmil
Solution structure of human ribosomal protein uL11
Descriptor: 60S ribosomal protein L12
Authors:Lee, K.M, Wong, K.B.
Deposit date:2021-08-30
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The flexible N-terminal motif of uL11 unique to eukaryotic ribosomes interacts with P-complex and facilitates protein translation.
Nucleic Acids Res., 50, 2022
7PC8
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BU of 7pc8 by Molmil
The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PKN
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BU of 7pkn by Molmil
Structure of the human CCAN deltaCT complex
Descriptor: Centromere protein H, Centromere protein I, Centromere protein K, ...
Authors:Muir, K.W, Yatskevich, S, Bellini, D, Barford, D.
Deposit date:2021-08-25
Release date:2022-04-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7P0V
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BU of 7p0v by Molmil
Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4
Descriptor: Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ...
Authors:Sabath, K, de Vries, T, Jonas, S.
Deposit date:2021-06-30
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PB8
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Crystal structure of the CENP-OPQUR complex
Descriptor: Centromere protein O, Centromere protein P, Centromere protein Q, ...
Authors:Bellini, D, Yatskevich, S, Muir, K.W, Barford, D.
Deposit date:2021-07-31
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.68 Å)
Cite:Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7P4G
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BU of 7p4g by Molmil
Rabbit Muscle L-lactate dehydrogenase in complex with citrate
Descriptor: CITRIC ACID, L-lactate dehydrogenase A chain
Authors:Iacovino, L.G, Binda, C, Hochkoeppler, A.
Deposit date:2021-07-11
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme.
Biochimie, 199, 2022
7NV1
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BU of 7nv1 by Molmil
Human Pol Kappa holoenzyme with Ub-PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
7NV0
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BU of 7nv0 by Molmil
Human Pol Kappa holoenzyme with wt PCNA
Descriptor: DNA Primer, DNA Template, DNA polymerase kappa, ...
Authors:Lancey, C, De Biasio, A, Hamdan, S.M.
Deposit date:2021-03-15
Release date:2021-11-10
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human Pol kappa bound to DNA and mono-ubiquitylated PCNA.
Nat Commun, 12, 2021
7VQT
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BU of 7vqt by Molmil
Crystal structure of LSD1 in complex with compound 5
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQS
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BU of 7vqs by Molmil
Crystal structure of LSD1 in complex with compound 4
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7VQU
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BU of 7vqu by Molmil
Crystal structure of LSD1 in complex with compound S1427
Descriptor: 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Koda, Y, Sato, S, Yamamoto, H, Koyama, H, Umehara, T.
Deposit date:2021-10-20
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles.
Acs Med.Chem.Lett., 13, 2022
7U9Y
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BU of 7u9y by Molmil
WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.
Deposit date:2022-03-11
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
7UAS
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BU of 7uas by Molmil
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2022-03-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
7PLK
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BU of 7plk by Molmil
Crystal structure bovine Hsc70(aa1-554)E213A/D214A in complex with nicotinic-acid-derivative
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-pyrrol-1-ylpyridine-3-carboxylic acid, GLYCEROL, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.48781371 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7TV0
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BU of 7tv0 by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with dual-acetylated SARS-CoV-2 E
Descriptor: Bromodomain-containing protein 4, Envelope small membrane protein
Authors:Vann, K.R, Holt, T.A, Kutateladze, T.G.
Deposit date:2022-02-03
Release date:2022-07-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
7TUQ
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BU of 7tuq by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E
Descriptor: Bromodomain-containing protein 4, Envelope small membrane protein
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2022-02-03
Release date:2022-07-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
7VIJ
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BU of 7vij by Molmil
Crystal structure of USP7-HUBL domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7
Authors:Feng, N, Zeng, K.W.
Deposit date:2021-09-27
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
7V7C
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BU of 7v7c by Molmil
CryoEM structure of DDB1-VprBP-Vpr-UNG2(94-313) complex
Descriptor: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, Protein Vpr, ...
Authors:Wang, D, Xu, J, Liu, Q, Xiang, Y.
Deposit date:2021-08-21
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into the HIV-1 Vpr mediated ubiquitination through the Cullin-RING E3 ubiquitin ligase
To Be Published
7V9B
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Crystal Structure of 14-3-3 epsilon with FOXO3a peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate, ARG-ARG-ARG-ALA-VAL-SEP-MET-ASP-ASN-SER-ASN, ...
Authors:Mathivanan, S, Kamariah, N.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a 14-3-3 epsilon :FOXO3a pS253 Phosphopeptide Complex Reveals 14-3-3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins.
Acs Omega, 7, 2022
7V7B
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BU of 7v7b by Molmil
CryoEM structure of DDB1-VprBP complex in ARM-up conformation
Descriptor: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1
Authors:Wang, D, Xu, J, Liu, Q, Xiang, Y.
Deposit date:2021-08-21
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the HIV-1 Vpr mediated ubiquitination through the Cullin-RING E3 ubiquitin ligase
To Be Published

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