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5EAM
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BU of 5eam by Molmil
Crystal structure of human WDR5 in complex with compound 9o
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
5FAI
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BU of 5fai by Molmil
EMG1 N1-Specific Pseudouridine Methyltransferase
Descriptor: CITRIC ACID, Ribosomal RNA small subunit methyltransferase NEP1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:DONG, A, ZENG, H, LI, Y, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:EMG1 N1-Specific Pseudouridine Methyltransferase
to be published
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ...
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-07-06
Release date:2021-08-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
Descriptor: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
Authors:Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-08-17
Release date:2021-11-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human UTP15
To Be Published
7STY
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BU of 7sty by Molmil
Crystal structure of human CORO1C
Descriptor: Coronin-1C
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-11-15
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human CORO1C
To Be Published
7SUL
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BU of 7sul by Molmil
Crystal structure of the WD-repeat domain of human SEC31A
Descriptor: Protein transport protein Sec31A
Authors:Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-11-17
Release date:2021-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the WD-repeat domain of human SEC31A
To Be Published
8SHB
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BU of 8shb by Molmil
Crystal Structure of PRMT3 with Compound YD1-208
Descriptor: 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-13
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of PRMT3 with Compound YD1-208
To be published
8SIG
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BU of 8sig by Molmil
Crystal Structure of PRMT4 with Compound YD1-288
Descriptor: 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ...
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-288
To be published
8SIH
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BU of 8sih by Molmil
Crystal Structure of PRMT4 with Compound YD1-289
Descriptor: 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-289
To be published
1FJX
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BU of 1fjx by Molmil
STRUCTURE OF TERNARY COMPLEX OF HHAI METHYLTRANSFERASE MUTANT (T250G) IN COMPLEX WITH DNA AND ADOHCY
Descriptor: DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), HHAI DNA METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Vilkaitis, G, Dong, A, Weinhold, E, Cheng, X, Klimasauskas, S.
Deposit date:2000-08-08
Release date:2000-12-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Functional roles of the conserved threonine 250 in the target recognition domain of HhaI DNA methyltransferase.
J.Biol.Chem., 275, 2000
7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
Descriptor: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
Authors:Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-11-10
Release date:2021-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
8V04
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BU of 8v04 by Molmil
High resolution TMPRSS2 structure following acylation by nafamostat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ...
Authors:Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C.
Deposit date:2023-11-16
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:High resolution TMPRSS2 structure following acylation by nafamostat
To Be Published
8V1F
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BU of 8v1f by Molmil
TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2023-11-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
To Be Published
8V1P
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BU of 8v1p by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
Descriptor: Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
Authors:Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-11-21
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
To be published
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
8VIS
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BU of 8vis by Molmil
Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide
To Be Published
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors:Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
To be published
8TBX
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BU of 8tbx by Molmil
Crystal structure of human DDX1 helicase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ...
Authors:Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2023-06-29
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of human DDX1 helicase in complex with ADP
To be published
7RAY
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BU of 7ray by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-07-05
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
6PBG
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BU of 6pbg by Molmil
Crystal structure of WD-repeat domain of human coatomer subunit Alpha (COPA)
Descriptor: Coatomer subunit alpha, L(+)-TARTARIC ACID, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-13
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of W repeat domain of human coatomer subunit Alpha (COPA)
to be published
7SLW
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BU of 7slw by Molmil
Complex structure of CDYL2 with an antagonist
Descriptor: Chromodomain Y-like protein 2, GLYCEROL, UNKNOWN ATOM OR ION
Authors:Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-10-25
Release date:2021-11-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex structure of CDYL2 with an antagonist
To Be Published
8D41
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BU of 8d41 by Molmil
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
Descriptor: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
Authors:Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
To Be Published
8D30
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BU of 8d30 by Molmil
Crystal structure of the human COPB2 WD-domains
Descriptor: 1,2-ETHANEDIOL, Coatomer subunit beta'
Authors:Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-05-31
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human COPB2 WD-domains
To Be Published
8DYS
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BU of 8dys by Molmil
Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ...
Authors:Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-08-05
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
To Be Published
8EM8
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BU of 8em8 by Molmil
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
Descriptor: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ...
Authors:Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-09-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
To Be Published

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