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6R65
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Crystal Structure of human TMEM16K / Anoctamin 10 (Form 2)
分子名称: Anoctamin-10, CALCIUM ION
著者Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-03-26
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
6R7Z
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BU of 6r7z by Molmil
CryoEM structure of calcium-free human TMEM16K / Anoctamin 10 in detergent (closed form)
分子名称: Anoctamin-10
著者Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-03-29
公開日2019-05-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.14 Å)
主引用文献The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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
分子名称: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
著者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)
登録日2021-11-10
公開日2021-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
4F6A
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BU of 4f6a by Molmil
High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182
分子名称: BH1408 protein, UNKNOWN LIGAND
著者Kuzin, A, Neely, H, Odukwe, N, Seetharaman, J, Patel, P, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-14
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Northeast Structural Genomics Consortium Target BhR182
To be Published
4FCZ
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BU of 4fcz by Molmil
Crystal Structure of Toluene-tolerance protein from Pseudomonas putida (strain KT2440), Northeast Structural Genomics Consortium (NESG) Target PpR99
分子名称: Toluene-tolerance protein
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-25
公開日2013-02-13
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Northeast Structural Genomics Consortium Target PpR99
To be Published
5J1V
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BU of 5j1v by Molmil
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
分子名称: Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine
著者Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-29
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
3UF1
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BU of 3uf1 by Molmil
Crystal Structure of Vimentin (fragment 144-251) from Homo sapiens, Northeast Structural Genomics Consortium Target HR4796B
分子名称: Vimentin
著者Kuzin, A, Abashidze, M, Vorobiev, S.M, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2011-10-31
公開日2011-11-30
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The structure of vimentin linker 1 and rod 1B domains characterized by site-directed spin-labeling electron paramagnetic resonance (SDSL-EPR) and X-ray crystallography.
J.Biol.Chem., 287, 2012
3KAV
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BU of 3kav by Molmil
Crystal Structure of THE MUTANT (L80M) PA2107 PROTEIN from Pseudomonas aeruginosa, Northeast Structural Genomics Consortium Target PaR198
分子名称: uncharacterized protein PA2107
著者Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-19
公開日2009-10-27
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Northeast Structural Genomics Consortium Target PaR198
To be Published
3C4S
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BU of 3c4s by Molmil
Crystal structure of the Ssl0352 protein from Synechocystis sp. Northeast Structural Genomics Consortium target SgR42
分子名称: Ssl0352 protein
著者Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-30
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the Ssl0352 protein from Synechocystis sp.
To be Published
3C4N
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BU of 3c4n by Molmil
Crystal structure of DR_0571 protein from Deinococcus radiodurans in complex with ADP. Northeast Structural Genomics Consortium Target DrR125
分子名称: ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein DR_0571
著者Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Xiao, R, Cunningham, K, Owen, L.A, Maglaqui, M, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-30
公開日2008-02-26
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of DR_0571 protein from Deinococcus radiodurans in complex with ADP.
To be Published
3U07
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BU of 3u07 by Molmil
Crystal Structure of the VPA0106 protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR106.
分子名称: uncharacterized protein VPA0106
著者Vorobiev, S, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-28
公開日2011-10-12
実験手法X-RAY DIFFRACTION (2.083 Å)
主引用文献Crystal Structure of the VPA0106 protein from Vibrio parahaemolyticus.
To be Published
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
3U4T
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BU of 3u4t by Molmil
Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target ChR11B.
分子名称: TPR repeat-containing protein
著者Vorobiev, S, Neely, H, Chen, Y, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2011-10-10
公開日2011-10-19
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii.
To be Published
3TP4
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BU of 3tp4 by Molmil
Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-07
公開日2011-10-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4FDB
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BU of 4fdb by Molmil
Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c
分子名称: ACETIC ACID, Probable primosomal replication protein n
著者Kuzin, A, Neely, H, Seetharaman, J, Wang, H, Sahdev, S, Foote, E.L, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-27
公開日2013-02-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of the protein prib from ralstonia solanacearum at the resolution 1.8a. northeast structural genomics consortium target rsr213c
To be Published
5OXG
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BU of 5oxg by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854
分子名称: 1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
著者Williams, E.P, Sorrell, F.J, Kopec, J, Nowak, R.P, Kupinska, K, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2017-09-06
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2.
Bone, 109, 2018
6ROG
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BU of 6rog by Molmil
Crystal Structure of the KELCH domain of human KEAP1
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, SODIUM ION
著者Sethi, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bullock, A.N, von Delft, F, Structural Genomics Consortium (SGC)
登録日2019-05-13
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of the KELCH domain of human KEAP1
To Be Published
3KVP
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BU of 3kvp by Molmil
Crystal Structure of Uncharacterized protein ymzC Precursor from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR378A
分子名称: ACETIC ACID, Uncharacterized protein ymzC
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Afonine, P, Fang, F, Xiao, R, Cunningham, K, Ma, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-11-30
公開日2010-02-02
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Northeast Structural Genomics Consortium Target SR378A
To be Published
4F9K
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BU of 4f9k by Molmil
Crystal Structure of human cAMP-dependent protein kinase type I-beta regulatory subunit (fragment 11-73), Northeast Structural Genomics Consortium (NESG) Target HR8613A
分子名称: cAMP-dependent protein kinase type I-beta regulatory subunit
著者Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Shastry, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-18
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of human cAMP-dependent protein kinase type I-beta regulatory subunit (fragment 11-73), Northeast Structural Genomics Consortium (NESG) Target HR8613A
To be Published
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
分子名称: De Novo design cysteine esterase FR29
著者Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-30
公開日2011-12-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
6WSI
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BU of 6wsi by Molmil
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
分子名称: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2020-05-01
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
6DDB
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BU of 6ddb by Molmil
Crystal structure of the double mutant (D52N/R367Q) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target
分子名称: Cytosolic purine 5'-nucleotidase, MANGANESE (II) ION, PHOSPHATE ION
著者Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2018-05-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
5J3E
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BU of 5j3e by Molmil
Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA
分子名称: 5-methylcytosine containing DNA, Thymocyte nuclear protein 1, UNKNOWN ATOM OR ION
著者Halabelian, L, Tempel, W, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2016-03-30
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA
To be published
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
3LRX
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BU of 3lrx by Molmil
Crystal Structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A
分子名称: Putative hydrogenase
著者Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-02-11
公開日2010-03-16
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Northeast Structural Genomics Consortium Target PfR246A
To be Published

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