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5FAI
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BU of 5fai by Molmil
EMG1 N1-Specific Pseudouridine Methyltransferase
分子名称: CITRIC ACID, Ribosomal RNA small subunit methyltransferase NEP1, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者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)
登録日2015-12-11
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献EMG1 N1-Specific Pseudouridine Methyltransferase
to be published
5EAM
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BU of 5eam by Molmil
Crystal structure of human WDR5 in complex with compound 9o
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
著者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)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2Q58
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BU of 2q58 by Molmil
Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID
著者Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC)
登録日2007-05-31
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
4E47
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SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine
分子名称: (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ...
著者Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-03-12
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Setd7 in Complex with Inhibitor and SAM
To be Published
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
2PWQ
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BU of 2pwq by Molmil
Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii
分子名称: Ubiquitin conjugating enzyme
著者Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-05-11
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii.
To be Published
2PWP
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BU of 2pwp by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine
分子名称: GLYCEROL, SPERMIDINE, SULFATE ION, ...
著者Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-05-11
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine.
To be Published
6NIM
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BU of 6nim by Molmil
Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
分子名称: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
著者Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
登録日2018-12-29
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
6NP7
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Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
分子名称: Bromodomain factor 2 protein
著者Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC)
登録日2019-01-17
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
5C8H
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BU of 5c8h by Molmil
Crystal structure of ORC2 C-terminal domain
分子名称: Origin recognition complex subunit 2, UNKNOWN ATOM OR ION
著者Tempel, W, Xu, C, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-06-25
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of ORC2 C-terminal domain
To Be Published
1J70
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BU of 1j70 by Molmil
CRYSTAL STRUCTURE OF YEAST ATP SULFURYLASE
分子名称: ATP SULPHURYLASE, PHOSPHATE ION, SODIUM ION
著者Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F.
登録日2001-05-15
公開日2003-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity.
Protein Eng., 16, 2003
8V1P
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BU of 8v1p by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
分子名称: Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
著者Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-11-21
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
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
分子名称: DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), HHAI DNA METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Vilkaitis, G, Dong, A, Weinhold, E, Cheng, X, Klimasauskas, S.
登録日2000-08-08
公開日2000-12-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Functional roles of the conserved threonine 250 in the target recognition domain of HhaI DNA methyltransferase.
J.Biol.Chem., 275, 2000
6XCG
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BU of 6xcg by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934
分子名称: Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION
著者Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-06-08
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
8V04
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BU of 8v04 by Molmil
High resolution TMPRSS2 structure following acylation by nafamostat
分子名称: 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, ...
著者Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C.
登録日2023-11-16
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献High resolution TMPRSS2 structure following acylation by nafamostat
To Be Published
8V1F
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TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
分子名称: 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, ...
著者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)
登録日2023-11-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
To Be Published
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
分子名称: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
著者kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
1YXO
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BU of 1yxo by Molmil
Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593
分子名称: 4-hydroxythreonine-4-phosphate dehydrogenase 1, ETHANOL, MAGNESIUM ION
著者Liu, Y, Xu, X, Dong, A, Kudritskam, M, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-02-22
公開日2005-04-05
最終更新日2011-10-05
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593
To be Published
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
分子名称: 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, ...
著者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)
登録日2021-07-06
公開日2021-08-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
7KLJ
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BU of 7klj by Molmil
Crystal structure of the WD-repeat domain of human KIF21A
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Kinesin-like protein KIF21A, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-10-30
公開日2020-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of the WD-repeat domain of human KIF21A
To be Published
4XCX
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BU of 4xcx by Molmil
METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase
著者Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-12-18
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of human C1ORF59 in complex with SAH
To be published
8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
7T39
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BU of 7t39 by Molmil
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
分子名称: 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9
著者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)
登録日2021-12-07
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
4XVH
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Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Carbohydrate esterase family 2 (CE2), GLYCEROL
著者Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A.
登録日2015-01-27
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9449 Å)
主引用文献Crystal structure of a Corynascus thermopiles carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
To Be Published
7KYX
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Crystal structure of human CORO6
分子名称: Coronin-6, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-12-09
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of human CORO6
To Be Published

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