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2LLK
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BU of 2llk by Molmil
Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin-D-binding transcription factor 1 (hDMP1), Northeast Structural Genomics Consortium (NESG) target ID hr8011a
分子名称: Cyclin-D-binding Myb-like transcription factor 1
著者Montecchio, M, Lemak, A, Yee, A, Xu, C, Garcia, M, Houliston, S, Min, J, Bellanda, M, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2011-11-10
公開日2011-11-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin D binding transcription factor 1 (hDMP1).
To be Published
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
分子名称: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2018-06-07
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
2M2E
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BU of 2m2e by Molmil
Solution NMR structure of the SANT domain of human DNAJC2, Northeast structural genomics consortium target HR8254a
分子名称: DnaJ homolog subfamily C member 2
著者Lemak, A, Yee, A, Houliston, S, Garcia, M, Ong, M, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2012-12-18
公開日2013-02-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of the SANT domain of human DnaJC2.
To be Published
2LV9
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BU of 2lv9 by Molmil
Solution NMR structure of the PHD domain of human MLL5, Northeast structural genomics consortium target HR6512A
分子名称: Histone-lysine N-methyltransferase MLL5, ZINC ION
著者Lemak, A, Yee, A, Houliston, S, Garcia, M, Wu, H, Min, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC), Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS)
登録日2012-06-29
公開日2012-09-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献NMR solution structure of the human MLL5 PHD domain (CASP Target)
To be Published
2LVA
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BU of 2lva by Molmil
NMR solution structure of the N-terminal domain of human USP28, Northeast structural genomics consortium target HT8470A
分子名称: Ubiquitin carboxyl-terminal hydrolase 28
著者Lemak, A, Yee, A, Houliston, S, Garcia, M, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2012-06-29
公開日2012-07-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of the N-terminal domain of human USP28
To be Published
7SVT
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BU of 7svt by Molmil
Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor
分子名称: (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-11-19
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis .
Acs Infect Dis., 8, 2022
2LFE
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BU of 2lfe by Molmil
Solution NMR structure of N-terminal domain of human E3 ubiquitin-protein ligase HECW2, Northeast structural genomics consortium (NESG) target ht6306A
分子名称: E3 ubiquitin-protein ligase HECW2
著者Lemak, A, Yee, A, Houliston, S, Garcia, M, Chitayat, S, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2011-06-29
公開日2011-07-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of N-terminal domain of E3 ligase HECW2
To be Published
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
著者Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2017-06-01
公開日2018-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5NFJ
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BU of 5nfj by Molmil
Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitochondrial ribonuclease P protein 1, ...
著者Oerum, S, Kopec, J, Fitzpatrick, F, Newman, J.A, Chalk, R, Shrestha, L, Fairhead, M, Talon, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, C, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2017-03-14
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of the methyltransferase subunit of human mitochondrial Ribonuclease P (MRPP1) bound to S-adenosyl-methionine (SAM)
To Be Published
5OCH
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BU of 5och by Molmil
The crystal structure of human ABCB8 in an outward-facing state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ...
著者Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The crystal structure of human ABCB8 in an outward-facing state
To Be Published
3B7O
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BU of 3b7o by Molmil
Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible active site
分子名称: D-MALATE, Tyrosine-protein phosphatase non-receptor type 11
著者Ugochukwu, E, Barr, A, Patel, A, King, O, Niesen, F, Salah, E, Savitsky, P, Pilka, E.S, Elkins, J, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-10-31
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4O38
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BU of 4o38 by Molmil
Crystal structure of the human cyclin G associated kinase (GAK)
分子名称: Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID
著者Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-01-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Crystal structure of the human cyclin G associated kinase (GAK)
To be Published
4DRZ
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BU of 4drz by Molmil
Crystal structure of human RAB14
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-14
著者Wang, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2012-02-17
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human RAB14
to be published
5KVU
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BU of 5kvu by Molmil
Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, D-MALATE, GLYCEROL, ...
著者Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2016-07-15
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis
To Be Published
4E71
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BU of 4e71 by Molmil
Crystal structure of the RHO GTPASE binding domain of Plexin B2
分子名称: Plexin-B2, SODIUM ION
著者Guan, X, Wang, H, Tempel, W, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2012-03-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of the RHO GTPASE binding domain of Plexin B2
to be published
4E96
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BU of 4e96 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
分子名称: 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC)
登録日2012-03-20
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
分子名称: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-30
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
5O2D
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BU of 5o2d by Molmil
PARP14 Macrodomain 2 with inhibitor
分子名称: Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide
著者Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-05-20
公開日2017-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
2ZFY
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BU of 2zfy by Molmil
Crystal structure of human Otubain 1
分子名称: Ubiquitin thioesterase OTUB1
著者Akutsu, M, Walker, J.R, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-01-16
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis and specificity of human otubain 1-mediated deubiquitination.
Biochem.J., 418, 2009
4GM2
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BU of 4gm2 by Molmil
The crystal structure of a peptidase from plasmodium falciparum
分子名称: ATP-dependent Clp protease proteolytic subunit
著者El Bakkouri, M, Jung, P, Wernimont, A.K, Calmettes, C, Hui, R, Houry, W.A, Structural Genomics Consortium (SGC)
登録日2012-08-15
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2010-05-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3BER
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BU of 3ber by Molmil
Human DEAD-box RNA-helicase DDX47, conserved domain I in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Probable ATP-dependent RNA helicase DDX47, ...
著者Karlberg, T, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-11-20
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
4HC4
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Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein arginine N-methyltransferase 6, ...
著者Dong, A, Zeng, H, He, H, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016

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