5KB0
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![BU of 5kb0 by Molmil](/molmil-images/mine/5kb0) | Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | 分子名称: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-06-02 | 公開日 | 2016-08-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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6Q0C
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![BU of 6q0c by Molmil](/molmil-images/mine/6q0c) | MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG | 分子名称: | 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ... | 著者 | O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2019-08-01 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY. Acs Chem.Biol., 15, 2020
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5IA0
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![BU of 5ia0 by Molmil](/molmil-images/mine/5ia0) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5J6F
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![BU of 5j6f by Molmil](/molmil-images/mine/5j6f) | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | 分子名称: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | 著者 | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | 登録日 | 2016-04-04 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate. J. Biol. Chem., 291, 2016
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6PYM
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![BU of 6pym by Molmil](/molmil-images/mine/6pym) | |
6Q7E
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![BU of 6q7e by Molmil](/molmil-images/mine/6q7e) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.059 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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3BGS
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![BU of 3bgs by Molmil](/molmil-images/mine/3bgs) | Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate | 分子名称: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, purine nucleoside phosphorylase | 著者 | Murkin, A.S, Ramagopal, U.A, Almo, S.C, Schramm, V.L. | 登録日 | 2007-11-27 | 公開日 | 2008-01-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase J.Am.Chem.Soc., 130, 2008
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6Q7F
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![BU of 6q7f by Molmil](/molmil-images/mine/6q7f) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | 分子名称: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.204 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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5K9H
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![BU of 5k9h by Molmil](/molmil-images/mine/5k9h) | Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium | 分子名称: | 0940_GH29, GLYCEROL, SODIUM ION, ... | 著者 | Summers, E.L, Arcus, V.L. | 登録日 | 2016-05-31 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.029 Å) | 主引用文献 | The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains. Acta Crystallogr.,Sect.F, 72, 2016
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3DGR
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![BU of 3dgr by Molmil](/molmil-images/mine/3dgr) | Crystal structure of human NAMPT complexed with ADP analogue | 分子名称: | Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | 著者 | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | 登録日 | 2008-06-15 | 公開日 | 2009-08-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DHF
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![BU of 3dhf by Molmil](/molmil-images/mine/3dhf) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | 分子名称: | BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ... | 著者 | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | 登録日 | 2008-06-17 | 公開日 | 2009-08-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DKJ
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![BU of 3dkj by Molmil](/molmil-images/mine/3dkj) | Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase | 著者 | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | 登録日 | 2008-06-25 | 公開日 | 2009-08-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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6Q12
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![BU of 6q12 by Molmil](/molmil-images/mine/6q12) | Structure of pro-Esp mutant- S66V | 分子名称: | Glutamyl endopeptidase | 著者 | Manne, K, Narayana, S.V.L. | 登録日 | 2019-08-02 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis. Acta Crystallogr D Struct Biol, 76, 2020
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6Q7C
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![BU of 6q7c by Molmil](/molmil-images/mine/6q7c) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6PT8
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![BU of 6pt8 by Molmil](/molmil-images/mine/6pt8) | Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid | 分子名称: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... | 著者 | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I. | 登録日 | 2019-07-15 | 公開日 | 2020-07-22 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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5IA4
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![BU of 5ia4 by Molmil](/molmil-images/mine/5ia4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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6Q7D
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![BU of 6q7d by Molmil](/molmil-images/mine/6q7d) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | 分子名称: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.978 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6FNJ
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![BU of 6fnj by Molmil](/molmil-images/mine/6fnj) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.239 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6PTF
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![BU of 6ptf by Molmil](/molmil-images/mine/6ptf) | Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State | 分子名称: | UPF0284 protein MJ1598 | 著者 | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | 登録日 | 2019-07-15 | 公開日 | 2020-07-22 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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6QEL
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![BU of 6qel by Molmil](/molmil-images/mine/6qel) | E. coli DnaBC apo complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ... | 著者 | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | 登録日 | 2019-01-08 | 公開日 | 2019-03-06 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA. Mol.Cell, 74, 2019
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6FNF
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![BU of 6fnf by Molmil](/molmil-images/mine/6fnf) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.556 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNK
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![BU of 6fnk by Molmil](/molmil-images/mine/6fnk) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6PU6
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![BU of 6pu6 by Molmil](/molmil-images/mine/6pu6) | CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide | 分子名称: | ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... | 著者 | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | 登録日 | 2019-07-17 | 公開日 | 2020-07-22 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.293 Å) | 主引用文献 | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
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6Q24
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![BU of 6q24 by Molmil](/molmil-images/mine/6q24) | Structure of pro-Esp mutant- S235A | 分子名称: | Glutamyl endopeptidase | 著者 | Manne, K, Narayana, S.V.L. | 登録日 | 2019-08-06 | 公開日 | 2019-08-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis. Acta Crystallogr D Struct Biol, 76, 2020
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6Q7G
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![BU of 6q7g by Molmil](/molmil-images/mine/6q7g) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01 | 分子名称: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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