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7JWU
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BU of 7jwu by Molmil
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
7JWT
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BU of 7jwt by Molmil
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
3UN0
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BU of 3un0 by Molmil
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
3UOT
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BU of 3uot by Molmil
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
3P06
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BU of 3p06 by Molmil
Crystal structure of Tellina virus 1 VP4 protease in the form of an intra-molecular(cis)acyl-enzyme complex.
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
著者Chung, I.Y.W, Paetzel, M.
登録日2010-09-27
公開日2011-02-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Viral Protease Intramolecular Acyl-enzyme Complex: INSIGHTS INTO cis-CLEAVAGE AT THE VP4/VP3 JUNCTION OF TELLINA BIRNAVIRUS.
J.Biol.Chem., 286, 2011
3Q9D
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BU of 3q9d by Molmil
Crystal Structure of Cpn0803 from C. pneumoniae.
分子名称: Protein CPn_0803/CP_1068/CPj0803/CpB0832
著者Stone, C.B, Sugiman-Marangos, S.N, Junop, M.S, Mahony, J.B.
登録日2011-01-07
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cpn0803 from C. pneumoniae.
To be Published
2FPF
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BU of 2fpf by Molmil
Crystal structure of the ib1 sh3 dimer at low resolution
分子名称: C-jun-amino-terminal kinase interacting protein 1
著者Kristensen, O, Dar, I, Gajhede, M.
登録日2006-01-16
公開日2006-02-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
2FPD
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BU of 2fpd by Molmil
Sad structure determination: crystal structure of the intrinsic dimerization sh3 domain of the ib1 scaffold protein
分子名称: C-jun-amino-terminal kinase interacting protein 1, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Kristensen, O, Dar, I, Gajhede, M.
登録日2006-01-16
公開日2006-02-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
2FPE
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BU of 2fpe by Molmil
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
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
著者Abad-Zapatero, C.
登録日2010-07-22
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
3PTG
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BU of 3ptg by Molmil
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
2RHE
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BU of 2rhe by Molmil
STRUCTURE OF A NOVEL BENCE-JONES PROTEIN (RHE) FRAGMENT AT 1.6 ANGSTROMS RESOLUTION
分子名称: BENCE-JONES PROTEIN RHE (LIGHT CHAIN)
著者Fureyjunior, W, Wang, B.C, Yoo, C.S, Sax, M.
登録日1983-06-13
公開日1983-09-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a novel Bence-Jones protein (Rhe) fragment at 1.6 A resolution.
J.Mol.Biol., 167, 1983
5FV8
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BU of 5fv8 by Molmil
Structure of cJun-FosW coiled coil complex.
分子名称: CJUN, FOSW, GLYCEROL, ...
著者Zaccai, N.R, Mason, J.M, Brady, R.L.
登録日2016-02-03
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Helix-Constrained Fos-Based Peptides Inhibit Oncogenic Activator Protein-1 and Cancer Cell Proliferation
To be Published
1HIP
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BU of 1hip by Molmil
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
4ODB
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BU of 4odb by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with Junctional Adhesion Molecule-A
分子名称: Junctional adhesion molecule A, Outer capsid protein sigma-1
著者Stettner, E, Stehle, T.
登録日2014-01-10
公開日2015-04-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The JAM-A binding site is conserved in reovirus sigma1: Structure of the T1L sigma1-JAM-A complex
To be Published
7ZUO
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BU of 7zuo by Molmil
Crystal Structure of Ljungan virus 4 2A2 protein, P212121 form
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者von Castelmur, E, Perrakis, A.
登録日2022-05-12
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Plasticity of Parechovirus H/NC-motif 2A proteins
To Be Published
7ZUA
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BU of 7zua by Molmil
Crystal Structure of Ljungan virus 4 2A2 protein I222 crystal form
分子名称: ACETATE ION, Protein 2A
著者von Castelmur, E, Perrakis, A.
登録日2022-05-11
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural plasticity of Parechovirus family H-box 2A proteins
To Be Published
8A2F
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BU of 8a2f by Molmil
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
4SDH
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BU of 4sdh by Molmil
HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN
分子名称: HEMOGLOBIN I (DEOXY), PROTOPORPHYRIN IX CONTAINING FE
著者Royerjunior, W.E.
登録日1993-06-23
公開日1993-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-resolution crystallographic analysis of a co-operative dimeric hemoglobin.
J.Mol.Biol., 235, 1994
2CNA
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BU of 2cna by Molmil
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
3SDH
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BU of 3sdh by Molmil
HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN
分子名称: CARBON MONOXIDE, HEMOGLOBIN I (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE
著者Royerjunior, W.E.
登録日1993-06-23
公開日1993-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystallographic analysis of a co-operative dimeric hemoglobin.
J.Mol.Biol., 235, 1994
8CGO
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BU of 8cgo by Molmil
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
7YO9
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BU of 7yo9 by Molmil
Crystal structure of fusion protein of human TP53INP2 LIR and human GABARAP
分子名称: ISOPROPYL ALCOHOL, PHOSPHATE ION, Tumor protein p53-inducible nuclear protein 2,Gamma-aminobutyric acid receptor-associated protein
著者Yamasaki, A, Noda, N.N.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of new tools to study membrane-anchored mammalian Atg8 proteins.
Autophagy, 19, 2023
5NUU
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BU of 5nuu by Molmil
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
1UKH
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BU of 1ukh by Molmil
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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