5LVQ
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![BU of 5lvq by Molmil](/molmil-images/mine/5lvq) | Crystal structure of human PCAF bromodomain in complex with compound-D (CPD-D), N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ... | 著者 | Chaikuad, A, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hopkins, A.L, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-14 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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5LW9
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![BU of 5lw9 by Molmil](/molmil-images/mine/5lw9) | Crystal structure of human JARID1B in complex with S40563a | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40563a to be published
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5LUG
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![BU of 5lug by Molmil](/molmil-images/mine/5lug) | Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide | 分子名称: | 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ... | 著者 | Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-08 | 公開日 | 2017-09-20 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide To be published
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5LWM
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![BU of 5lwm by Molmil](/molmil-images/mine/5lwm) | Crystal structure of JAK3 in complex with Compound 4 (FM381) | 分子名称: | 1,2-ETHANEDIOL, 1-phenylurea, 2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{N},~{N}-dimethyl-prop-2-enamide, ... | 著者 | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-18 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket. Cell Chem Biol, 23, 2016
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5J1V
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![BU of 5j1v by Molmil](/molmil-images/mine/5j1v) | 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
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5LUU
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![BU of 5luu by Molmil](/molmil-images/mine/5luu) | Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | 分子名称: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | 登録日 | 2016-09-11 | 公開日 | 2016-10-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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5LWB
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![BU of 5lwb by Molmil](/molmil-images/mine/5lwb) | Crystal structure of human JARID1B in complex with S40650a | 分子名称: | 1,2-ETHANEDIOL, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40650a to be published
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1XNE
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![BU of 1xne by Molmil](/molmil-images/mine/1xne) | Solution Structure of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14 | 分子名称: | hypothetical protein PF0469 | 著者 | Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR data collection and analysis protocol for high-throughput protein structure determination. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XN6
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![BU of 1xn6 by Molmil](/molmil-images/mine/1xn6) | Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus | 分子名称: | hypothetical protein BC4709 | 著者 | Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR data collection and analysis protocol for high-throughput protein structure determination. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XN8
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![BU of 1xn8 by Molmil](/molmil-images/mine/1xn8) | Solution Structure of Bacillus subtilis Protein yqbG: The Northeast Structural Genomics Consortium Target SR215 | 分子名称: | Hypothetical protein yqbG | 著者 | Liu, G, Ma, L, Shen, Y, Acton, T, Atreya, H.S, Xiao, R, Joachimiak, A, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-10-04 | 公開日 | 2004-12-14 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR data collection and analysis protocol for high-throughput protein structure determination. Proc.Natl.Acad.Sci.Usa, 102, 2005
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6QAT
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![BU of 6qat by Molmil](/molmil-images/mine/6qat) | Crystal structure of ULK2 in complexed with hesperadin | 分子名称: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6QAS
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![BU of 6qas by Molmil](/molmil-images/mine/6qas) | Crystal structure of ULK1 in complexed with PF-03814735 | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, GLYCEROL, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6QAU
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![BU of 6qau by Molmil](/molmil-images/mine/6qau) | Crystal structure of ULK2 in complexed with MRT67307 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6QAV
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![BU of 6qav by Molmil](/molmil-images/mine/6qav) | Crystal structure of ULK2 in complexed with MRT68921 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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4LC2
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![BU of 4lc2 by Molmil](/molmil-images/mine/4lc2) | Crystal structure of the bromodomain of human BRPF1B | 分子名称: | 1,2-ETHANEDIOL, NITRATE ION, Peregrin | 著者 | Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-06-21 | 公開日 | 2013-07-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the bromodomain of human BRPF1B TO BE PUBLISHED
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6G0S
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![BU of 6g0s by Molmil](/molmil-images/mine/6g0s) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2018-03-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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6G34
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![BU of 6g34 by Molmil](/molmil-images/mine/6g34) | Crystal structure of haspin in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IODIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G38
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![BU of 6g38 by Molmil](/molmil-images/mine/6g38) | Crystal structure of haspin in complex with tubercidin | 分子名称: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6FU5
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![BU of 6fu5 by Molmil](/molmil-images/mine/6fu5) | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18 | 分子名称: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2018-02-26 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | 主引用文献 | Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling. EMBO J., 37, 2018
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6G37
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![BU of 6g37 by Molmil](/molmil-images/mine/6g37) | Crystal structure of haspin in complex with 5-fluorotubercidin | 分子名称: | 5-fluorotubercidin, PHOSPHATE ION, Serine/threonine-protein kinase haspin | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G3A
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![BU of 6g3a by Molmil](/molmil-images/mine/6g3a) | Crystal structure of haspin F605T mutant in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, DIMETHYL SULFOXIDE, IODIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G0R
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![BU of 6g0r by Molmil](/molmil-images/mine/6g0r) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated POLR2A peptide (K775ac/K778ac) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DNA-directed RNA polymerase II subunit RPB1 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2018-03-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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6G33
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![BU of 6g33 by Molmil](/molmil-images/mine/6g33) | Crystal structure of CLK1 in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Dual specificity protein kinase CLK1, IODIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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6G54
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![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-29 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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6G57
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![BU of 6g57 by Molmil](/molmil-images/mine/6g57) | Structure of the H1 domain of human KCTD8 | 分子名称: | BTB/POZ domain-containing protein KCTD8 | 著者 | Pinkas, D.M, Bufton, J.C, Strain-Damerell, C.M, Fairhead, M, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2018-03-29 | 公開日 | 2019-03-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of the H1 domain of human KCTD8 To Be Published
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