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6YVJ
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BU of 6yvj by Molmil
EED in complex with a triazolopyrimidine
Descriptor: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Read, J.A.
Deposit date:2020-04-28
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.
Bioorg.Med.Chem.Lett., 39, 2021
8W3V
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BU of 8w3v by Molmil
Crystal structure of human WDR41
Descriptor: WD repeat-containing protein 41
Authors:Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-02-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human WDR41
To be published
8T5I
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BU of 8t5i by Molmil
Crystal structure of human WDR5 in complex with MR4397
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ...
Authors:Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-13
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human WDR5 in complex with MR4397
To be published
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
Descriptor: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B, Amporndanai, K, Fesik, S.W.
Deposit date:2023-10-11
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
Descriptor: WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXP
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BU of 7axp by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
Descriptor: CS-VIP8, WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXQ
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BU of 7axq by Molmil
Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
Descriptor: CS-VIP8, WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.562 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
Descriptor: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXX
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BU of 7axx by Molmil
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
Descriptor: (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
8SZX
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BU of 8szx by Molmil
Crystal structure of b'-WD40 Lys17Ala mutant
Descriptor: Coatomer subunit beta'
Authors:Dey, D, Hasan, S.S.
Deposit date:2023-05-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
7BIE
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BU of 7bie by Molmil
Crystal structure of nvWrap-T, a 7-bladed symmetric propeller
Descriptor: CITRIC ACID, nvWRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIF
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BU of 7bif by Molmil
Crystal structure of v22WRAP-T, a 7-bladed designer protein
Descriptor: v22WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIG
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BU of 7big by Molmil
Crystal structure of v13WRAP-T, a 7-bladed designer protein
Descriptor: CHLORIDE ION, v13WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BID
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BU of 7bid by Molmil
Crystal structure of v31WRAP-T, a 7-bladed designer protein
Descriptor: v31WRAP-T
Authors:Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7CFP
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BU of 7cfp by Molmil
Crystal structure of WDR5 in complex with a H3Q5ser peptide
Descriptor: H3Q5ser peptide, SEROTONIN, WD repeat-containing protein 5
Authors:Zhao, J, Zhang, X, Zang, J.
Deposit date:2020-06-27
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CFQ
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BU of 7cfq by Molmil
Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
Authors:Zhao, J, Zhang, X, Zang, J.
Deposit date:2020-06-27
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7DH6
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BU of 7dh6 by Molmil
Crystal structure of PLRG1
Descriptor: CALCIUM ION, NICKEL (II) ION, Pleiotropic regulator 1, ...
Authors:Wang, X, Xu, C.
Deposit date:2020-11-13
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Crystal structure of the WD40 domain of human PLRG1.
Biochem.Biophys.Res.Commun., 534, 2021
7DNO
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BU of 7dno by Molmil
Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique
Descriptor: CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5
Authors:Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T.
Deposit date:2020-12-10
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
7KLJ
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BU of 7klj by Molmil
Crystal structure of the WD-repeat domain of human KIF21A
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Kinesin-like protein KIF21A, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2020-10-30
Release date:2020-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure of the WD-repeat domain of human KIF21A
To be Published
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-12-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
7SI4
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BU of 7si4 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-2219
Descriptor: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
7SI5
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BU of 7si5 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-1919
Descriptor: (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED
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

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PDB entries from 2024-04-10

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