7JWU
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![BU of 7jwu by Molmil](/molmil-images/mine/7jwu) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWT
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![BU of 7jwt by Molmil](/molmil-images/mine/7jwt) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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3UN0
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![BU of 3un0 by Molmil](/molmil-images/mine/3un0) | Crystal Structure of MDC1 FHA Domain | 分子名称: | Mediator of DNA damage checkpoint protein 1, SULFATE ION | 著者 | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | 登録日 | 2011-11-15 | 公開日 | 2011-12-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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3UOT
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![BU of 3uot by Molmil](/molmil-images/mine/3uot) | Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus | 分子名称: | Mediator of DNA damage checkpoint protein 1 | 著者 | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | 登録日 | 2011-11-17 | 公開日 | 2011-12-28 | 最終更新日 | 2012-07-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
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3P06
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![BU of 3p06 by Molmil](/molmil-images/mine/3p06) | |
3Q9D
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2FPF
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![BU of 2fpf by Molmil](/molmil-images/mine/2fpf) | |
2FPD
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2FPE
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![BU of 2fpe by Molmil](/molmil-images/mine/2fpe) | Conserved dimerization of the ib1 src-homology 3 domain | 分子名称: | C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O. | 登録日 | 2006-01-16 | 公開日 | 2006-02-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A unique set of SH3-SH3 interactions controls IB1 homodimerization Embo J., 25, 2006
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3O2M
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3PTG
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![BU of 3ptg by Molmil](/molmil-images/mine/3ptg) | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | 著者 | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | 登録日 | 2010-12-02 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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2RHE
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5FV8
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1HIP
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![BU of 1hip by Molmil](/molmil-images/mine/1hip) | TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED CHROMATIUM HIGH POTENTIAL IRON PROTEIN | 分子名称: | HIGH POTENTIAL IRON PROTEIN, IRON/SULFUR CLUSTER | 著者 | Carterjunior, C.W, Kraut, J, Freer, S.T, Xuong, N.-H, Alden, R.A, Bartsch, R.G. | 登録日 | 1975-04-01 | 公開日 | 1976-11-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Two-Angstrom crystal structure of oxidized Chromatium high potential iron protein. J.Biol.Chem., 249, 1974
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4ODB
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![BU of 4odb by Molmil](/molmil-images/mine/4odb) | |
7ZUO
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![BU of 7zuo by Molmil](/molmil-images/mine/7zuo) | |
7ZUA
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8A2F
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![BU of 8a2f by Molmil](/molmil-images/mine/8a2f) | Crystal Structure of Ljunganvirus 1 2A protein | 分子名称: | 2A protein | 著者 | von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | 登録日 | 2022-06-03 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structural plasticity of 2A proteins in the Parechovirus family To Be Published
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4SDH
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2CNA
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![BU of 2cna by Molmil](/molmil-images/mine/2cna) | THE COVALENT AND THREE-DIMENSIONAL STRUCTURE OF CONCANAVALIN A, IV.ATOMIC COORDINATES,HYDROGEN BONDING,AND QUATERNARY STRUCTURE | 分子名称: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | 著者 | Reekejunior, G.N, Becker, J.W, Edelman, G.M. | 登録日 | 1975-04-01 | 公開日 | 1977-03-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The covalent and three-dimensional structure of concanavalin A. IV. Atomic coordinates, hydrogen bonding, and quaternary structure. J.Biol.Chem., 250, 1975
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3SDH
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8CGO
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![BU of 8cgo by Molmil](/molmil-images/mine/8cgo) | Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | 登録日 | 2023-02-06 | 公開日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation. Eur.J.Med.Chem., 252, 2023
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7YO9
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5NUU
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![BU of 5nuu by Molmil](/molmil-images/mine/5nuu) | Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | 分子名称: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Caliandro, R, Pesaresi, A, Lamba, D. | 登録日 | 2017-05-02 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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1UKH
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![BU of 1ukh by Molmil](/molmil-images/mine/1ukh) | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 | 分子名称: | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, Mitogen-activated protein kinase 8 isoform 4 | 著者 | Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. | 登録日 | 2003-08-23 | 公開日 | 2004-08-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Embo J., 23, 2004
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