6HPX
 
 | | Crystal structure of ENL (MLLT1) in complex with compound 19 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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7Q8A
 | | Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ... | | 著者 | Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-11-10 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment
To Be Published
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6HPZ
 | | Crystal structure of ENL (MLLT1) in complex with acetyllysine | | 分子名称: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6HPW
 | | Crystal structure of ENL (MLLT1) in complex with compound 20 | | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6HQ0
 | | Crystal structure of ENL (MLLT1), apo form | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6HT0
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94 | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-10-02 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6HT1
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-10-02 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6HPY
 | | Crystal structure of ENL (MLLT1) in complex with compound 12 | | 分子名称: | 1,2-ETHANEDIOL, 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid, Protein ENL, ... | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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2X57
 | | Crystal structure of the extracellular domain of human Vasoactive intestinal polypeptide receptor 2 | | 分子名称: | VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR 2 | | 著者 | Pike, A.C.W, Barr, A.J, Quigley, A, Burgess Brown, N, de Riso, A, Bullock, A, Berridge, G, Muniz, J.R.C, Chaikaud, A, Vollmar, M, Krojer, T, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | | 登録日 | 2010-02-05 | | 公開日 | 2010-03-09 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of the Extracellular Domain of Human Vasoactive Intestinal Polypeptide Receptor 2
To be Published
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2X7F
 | | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | | 分子名称: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | | 著者 | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | 登録日 | 2010-02-26 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
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4B8W
 | | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | | 分子名称: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | 登録日 | 2012-08-31 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form
To be Published
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4ASX
 | | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C | | 分子名称: | 1,2-ETHANEDIOL, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, ACTIVIN RECEPTOR TYPE-2A | | 著者 | Williams, E, Chaikuad, A, Canning, P, Kochan, G, Mahajan, P, Cooper, C.D.O, Beltrami, A, Krojer, T, Pohl, B, Bracher, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | | 登録日 | 2012-05-03 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor
To be Published
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3S95
 | | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2011-05-31 | | 公開日 | 2011-07-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
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2XDG
 | | Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor. | | 分子名称: | 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION | | 著者 | Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor.
To be Published
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4O38
 | | 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
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3LM5
 | | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | | 著者 | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2010-01-29 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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3MDZ
 | | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | 著者 | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2010-03-31 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
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3K2J
 | | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | | 分子名称: | CHLORIDE ION, Protein polybromo-1, SULFATE ION | | 著者 | Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-30 | | 公開日 | 2009-10-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
To be Published
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2WWY
 | | Structure of human RECQ-like helicase in complex with a DNA substrate | | 分子名称: | 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ... | | 著者 | Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2009-10-30 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
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3GP0
 | | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ... | | 著者 | Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-03-20 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
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2WM8
 | | Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987) | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1 | | 著者 | Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | 登録日 | 2009-06-30 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987)
To be Published
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2X18
 | | The crystal structure of the PH domain of human AKT3 protein kinase | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RAC-GAMMA SERINE/THREONINE-PROTEIN KINASE | | 著者 | Vollmar, M, Wang, J, Zhang, Y, Elkins, J.M, Burgess-Brown, N, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | 登録日 | 2009-12-22 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | The Crystal Structure of the Ph Domain of Human Akt3 Protein Kinase
To be Published
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4B4O
 | | Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | 登録日 | 2012-07-31 | | 公開日 | 2012-08-29 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph
To be Published
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2XVT
 | | Structure of the extracellular domain of human RAMP2 | | 分子名称: | CALCIUM ION, RECEPTOR ACTIVITY-MODIFYING PROTEIN 2 | | 著者 | Quigley, A, Pike, A.C.W, Burgess-Brown, N, Krojer, T, Shrestha, L, Goubin, S, Kim, J, Das, S, Muniz, J.R.C, Canning, P, Chaikuad, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Barr, A.J, Carpenter, E.P. | | 登録日 | 2010-10-31 | | 公開日 | 2010-12-29 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of the Extracellular Domain of Human Ramp2
To be Published
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3HMI
 | | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | | 分子名称: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2 | | 著者 | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-05-29 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
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