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7ARG
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BU of 7arg by Molmil
Notum in complex with ARUK3002704
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-10-24
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B3F
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BU of 7b3f by Molmil
Notum S232A in complex with ARUK3003718
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-30
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B37
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BU of 7b37 by Molmil
Notum complex with ARUK3003718
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B2Y
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BU of 7b2y by Molmil
Notum complex with ARUK3003910
分子名称: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
7B2V
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BU of 7b2v by Molmil
Notum complex with ARUK3003906
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jone, E.Y.
登録日2020-11-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
1SGP
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BU of 1sgp by Molmil
ALA 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGQ
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BU of 1sgq by Molmil
GLY 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGR
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BU of 1sgr by Molmil
LEU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
分子名称: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
著者Huang, K, James, M.N.G.
登録日1995-05-26
公開日1995-10-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
7ZNQ
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BU of 7znq by Molmil
ABC transporter complex NosDFYL in GDN
分子名称: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
著者Zhang, L, Mueller, C, Zipfel, S, Chami, M, Einsle, O.
登録日2022-04-21
公開日2022-08-03
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
3TPX
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BU of 3tpx by Molmil
Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
著者Wu, X, Pazgier, M.
登録日2011-09-08
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
6WYS
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BU of 6wys by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, SULFATE ION
著者Lee, C.C, Spraggon, G.
登録日2020-05-13
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6WZV
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BU of 6wzv by Molmil
Lon protease proteolytic domain
分子名称: Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-14
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
分子名称: GLYCEROL, Lon protease homolog, mitochondrial, ...
著者Lee, C.C, Spraggon, G.
登録日2020-05-20
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
分子名称: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
著者Lee, C.C, Spraggon, G.
登録日2020-05-19
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
5CUJ
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BU of 5cuj by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 2.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUI
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BU of 5cui by Molmil
Crystal structure of Human Defensin-5 R28A mutant.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUM
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BU of 5cum by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
分子名称: CALCIUM ION, CHLORIDE ION, Defensin-5, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2015-07-24
公開日2016-07-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
4WUU
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BU of 4wuu by Molmil
Structure of ESK1 in complex with HLA-A*0201/WT1
分子名称: ARG-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU, Beta-2-microglobulin, ESK1, ...
著者Ataie, N.J, Ng, H.L.
登録日2014-11-03
公開日2015-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Structure of a TCR-Mimic Antibody with Target Predicts Pharmacogenetics.
J.Mol.Biol., 428, 2016
6GBI
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BU of 6gbi by Molmil
Wnt signalling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ...
著者Zhao, Y, Jones, E.Y.
登録日2018-04-14
公開日2018-08-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
6DMQ
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BU of 6dmq by Molmil
Crystal structure of the T27A mutant of human alpha defensin HNP4.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-06-05
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
6DMM
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BU of 6dmm by Molmil
Crystal structure of the G23A mutant of human alpha defensin HNP4.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-06-05
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
分子名称: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
著者Lee, C.C, Spraggon, G.
登録日2015-04-02
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4RXZ
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BU of 4rxz by Molmil
Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide
分子名称: 12-MER PEPTIDE INHIBITOR, Protein Mdm4
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-12-12
公開日2015-07-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis of how stress-induced MDMX phosphorylation activates p53.
Oncogene, 35, 2016
1QQL
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BU of 1qql by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
分子名称: Fibroblast growth factor 7, Fibroblast growth factor 1 chimera
著者Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
登録日1999-06-07
公開日2000-01-14
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-25
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86527729 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published

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件を2024-10-16に公開中

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