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6DV5
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BU of 6dv5 by Molmil
Oligomeric complex of a Hsp27 24-mer at 3.6 A resolution
Descriptor: Heat shock protein beta-1
Authors:Aguda, A.H, Brayer, G.D.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Structure-Guided Discovery of Ivermectin as an Inhibitor of Heat Shock Protein-27 Phosphorylation and Depolymerization.
To Be Published
8IVU
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BU of 8ivu by Molmil
Crystal Structure of Human NAMPT in complex with A4276
Descriptor: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Kang, B.G, Cha, S.S.
Deposit date:2023-03-28
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.09000921 Å)
Cite:Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
6K09
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BU of 6k09 by Molmil
Crystal structure B of ceNAP1-H2A-H2B complex
Descriptor: Histone H2B 1,Histone H2A, Nucleosome Assembly Protein
Authors:Liu, Y.R.
Deposit date:2019-05-05
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Crystal structure of xlH2A-H2B
Structure, 2019
8RHZ
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BU of 8rhz by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION
Authors:Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2023-12-17
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
Authors:Adams, R, Lawson, A.D.G.
Deposit date:2024-01-31
Release date:2024-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 2024
5VZU
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BU of 5vzu by Molmil
Crystal structure of the Skp1-FBXO31-cyclin D1 complex
Descriptor: Cyclin D1, F-box only protein 31, PHOSPHATE ION, ...
Authors:Li, Y, Jin, K, Hao, B.
Deposit date:2017-05-29
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7CVO
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BU of 7cvo by Molmil
crystal structure of Arabidopsis CO CCT domain in complex with NF-YB3/YC4 and FT CORE2 DNA
Descriptor: Chimera of Nuclear transcription factor Y subunit C-4 and Zinc finger protein CONSTANS, FT CORE2 DNA forward strand, FT CORE2 DNA reverse strand, ...
Authors:Lv, X, Du, J.
Deposit date:2020-08-26
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
6U2U
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BU of 6u2u by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2019-08-20
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
2UYZ
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BU of 2uyz by Molmil
Non-covalent complex between Ubc9 and SUMO1
Descriptor: SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, SUMO-CONJUGATING ENZYME UBC9
Authors:Knipscheer, P, van Dijk, W.J, Olsen, J.V, Mann, M, Sixma, T.K.
Deposit date:2007-04-21
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Noncovalent interaction between Ubc9 and SUMO promotes SUMO chain formation.
EMBO J., 26, 2007
8T1D
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BU of 8t1d by Molmil
Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD
Descriptor: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T1F
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BU of 8t1f by Molmil
Cryo-EM structure of full-length human TRPV4 in complex with antagonist HC-067047
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
8T1B
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BU of 8t1b by Molmil
Cryo-EM structure of full-length human TRPV4 in apo state
Descriptor: (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera, ...
Authors:Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
1HCK
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BU of 1hck by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION
Authors:Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
8T1E
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BU of 8t1e by Molmil
Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD
Descriptor: (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ...
Authors:Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-06-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
6SLW
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BU of 6slw by Molmil
Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1
Authors:Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
5V4B
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BU of 5v4b by Molmil
Crystal structure of the Skp1-FBXW7-DISC1 complex
Descriptor: DISC1 peptide, F-box/WD repeat-containing protein 7, IMIDAZOLE, ...
Authors:Li, Y, Baillie, G.S, Hao, B.
Deposit date:2017-03-08
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:FBXW7 regulates DISC1 stability via the ubiquitin-proteosome system.
Mol. Psychiatry, 23, 2018
7XJJ
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BU of 7xjj by Molmil
Cryo-EM structure of the galanin-bound GALR1-miniGo complex
Descriptor: G protein subunit alpha o1,Guanine nucleotide-binding protein G(o) subunit alpha, Galanin, Galanin receptor type 1, ...
Authors:Jiang, W, Zheng, S.
Deposit date:2022-04-18
Release date:2023-05-03
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into galanin receptor signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
Descriptor: Pachytene checkpoint protein 2 homolog
Authors:Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
Deposit date:2019-12-17
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
8ROZ
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BU of 8roz by Molmil
Cryo-EM structure of CDK2-cyclin A in complex with CDC25A
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, M-phase inducer phosphatase 1
Authors:Rowland, R.J, Noble, M.E.M, Endicott, J.A.
Deposit date:2024-01-12
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the CDK2-cyclin A-CDC25A Complex
To Be Published
7DMY
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BU of 7dmy by Molmil
The crystal structure of Cpd7 in complex with BPTF bromodomain
Descriptor: Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
Authors:Xiong, L, Guo, Y, Yang, S.
Deposit date:2020-12-08
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
7DN4
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BU of 7dn4 by Molmil
The crystal structure of Cpd8 in complex with BPTF bromodomain
Descriptor: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF
Authors:Xiong, L, Guo, Y, Yang, S.
Deposit date:2020-12-08
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
Authors:Li, W.F, Liu, K, Min, J.R.
Deposit date:2023-07-15
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8I0M
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BU of 8i0m by Molmil
Structure of CDK6 in complex with inhibitor
Descriptor: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
Authors:Jiang, C, Ye, Y, Huang, Y.
Deposit date:2023-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.7772 Å)
Cite:Structure of CDK6 in complex with inhibitor
To Be Published
8T1J
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BU of 8t1j by Molmil
Uncrosslinked nNOS-CaM oxygenase homodimer
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ...
Authors:Lee, K, Pospiech, T.H, Southworth, D.
Deposit date:2023-06-02
Release date:2023-11-29
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
8SMH
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BU of 8smh by Molmil
Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024

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PDB entries from 2024-08-07

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