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6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
Authors:Phan, J.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5WAK
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BU of 5wak by Molmil
Crystal Structure of a Suz12-Rbbp4 Binary Complex
Descriptor: Histone-binding protein RBBP4, Polycomb protein SUZ12, ZINC ION
Authors:Chen, S, Jiao, L, Liu, X.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
6UHY
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BU of 6uhy by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.W.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UHZ
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BU of 6uhz by Molmil
WDR5 in complex with Myc site fragment inhibitor
Descriptor: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
Authors:Wang, F, Fesik, S.w.
Deposit date:2019-09-29
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5JHG
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BU of 5jhg by Molmil
Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11
Descriptor: GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
Authors:Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F.
Deposit date:2016-04-21
Release date:2017-04-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
1UOH
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BU of 1uoh by Molmil
HUMAN GANKYRIN
Descriptor: 26S PROTEASOME NON-ATPASE REGULATORY SUBUNIT 10
Authors:Krzywda, S, Brzozowski, A.M, Wilkinson, A.J.
Deposit date:2003-09-17
Release date:2003-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Gankyrin, an Oncoprotein Found in Complexes with Cyclin-Dependent Kinase 4, a 19 S Proteasomal ATPase Regulator, and the Tumor Suppressors Rb and P53
J.Biol.Chem., 279, 2004
5EF6
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BU of 5ef6 by Molmil
Structure of HOXB13 complex with methylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-23
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
5EEA
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BU of 5eea by Molmil
Structure of HOXB13-DNA(CAA) complex
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-22
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
7M2G
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BU of 7m2g by Molmil
INTERLEUKIN-2 (human) mutant P65K, C125S
Descriptor: GLYCEROL, Interleukin-2, SULFATE ION
Authors:Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
7M5M
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BU of 7m5m by Molmil
PCNA bound to peptide mimetic
Descriptor: N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5L
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BU of 7m5l by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: PROPANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5N
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BU of 7m5n by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
8Q7H
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BU of 8q7h by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ...
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (4.1 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
7KQ1
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BU of 7kq1 by Molmil
PCNA bound to truncated peptide mimetic
Descriptor: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2020-11-13
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7KQ0
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BU of 7kq0 by Molmil
PCNA bound to peptide mimetic
Descriptor: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2020-11-13
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
4GQB
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BU of 4gqb by Molmil
Crystal Structure of the human PRMT5:MEP50 Complex
Descriptor: (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ...
Authors:Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S.
Deposit date:2012-08-22
Release date:2012-10-17
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
6UOZ
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BU of 6uoz by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:Zhao, B.
Deposit date:2019-10-16
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5WAI
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BU of 5wai by Molmil
Crystal Structure of a Suz12-Rbbp4-Jarid2-Aebp2 Heterotetrameric Complex
Descriptor: Histone-binding protein RBBP4, Jumonji, AT-rich interactive domain 2, ...
Authors:Chen, S, Jiao, L, Liu, X.
Deposit date:2017-06-26
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
6V62
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BU of 6v62 by Molmil
SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
6V63
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BU of 6v63 by Molmil
SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
1UBD
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BU of 1ubd by Molmil
CO-CRYSTAL STRUCTURE OF HUMAN YY1 ZINC FINGER DOMAIN BOUND TO THE ADENO-ASSOCIATED VIRUS P5 INITIATOR ELEMENT
Descriptor: DNA (5'-D(*AP*GP*GP*GP*TP*CP*TP*CP*CP*AP*TP*TP*TP*TP*GP*AP*A P*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*CP*AP*AP*AP*AP*TP*GP*GP*AP*GP*AP*C P*CP*CP*T)-3'), PROTEIN (YY1 ZINC FINGER DOMAIN), ...
Authors:Houbaviy, H.B, Usheva, A, Shenk, T, Burley, S.K.
Deposit date:1996-10-04
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cocrystal structure of YY1 bound to the adeno-associated virus P5 initiator.
Proc.Natl.Acad.Sci.USA, 93, 1996
3B38
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BU of 3b38 by Molmil
Structure of A104V DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
3B36
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BU of 3b36 by Molmil
Structure of M26L DJ-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein DJ-1
Authors:Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A.
Deposit date:2007-10-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
7Z8R
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BU of 7z8r by Molmil
CAND1-CUL1-RBX1
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2022-03-18
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023

223532

PDB entries from 2024-08-07

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