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4URR
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BU of 4urr by Molmil
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ...
著者Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
登録日2014-07-01
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
1HPH
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BU of 1hph by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE 1-37 IN SOLUTION
分子名称: HUMAN PARATHYROID HORMONE FRAGMENT 1 - 37
著者Marx, U.C, Roesch, P.
登録日1995-02-14
公開日1995-07-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of human parathyroid hormone 1-37 in solution.
J.Biol.Chem., 270, 1995
5AO1
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BU of 5ao1 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO2
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BU of 5ao2 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO0
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BU of 5ao0 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 41-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.731 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO3
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BU of 5ao3 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP
分子名称: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO4
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BU of 5ao4 by Molmil
Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP
分子名称: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE
著者Arnold, L.H, Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5CAO
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BU of 5cao by Molmil
EGFR kinase domain mutant "TMLR" with compound 29
分子名称: Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAN
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BU of 5can by Molmil
EGFR kinase domain mutant "TMLR" with compound 27
分子名称: (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAV
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BU of 5cav by Molmil
EGFR kinase domain with compound 41a
分子名称: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-30
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8M
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BU of 5c8m by Molmil
EGFR kinase domain mutant "TMLR" with compound 17
分子名称: 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-25
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAU
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BU of 5cau by Molmil
EGFR kinase domain mutant "TMLR" with compound 41b
分子名称: (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAQ
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BU of 5caq by Molmil
EGFR kinase domain mutant "TMLR" with compound 33
分子名称: Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAS
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BU of 5cas by Molmil
EGFR kinase domain mutant "TMLR" with compound 41a
分子名称: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
分子名称: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8N
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BU of 5c8n by Molmil
EGFR kinase domain mutant "TMLR" with compound 23
分子名称: Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-25
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5C8K
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BU of 5c8k by Molmil
EGFR kinase domain mutant "TMLR" with compound 1
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-25
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAP
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BU of 5cap by Molmil
EGFR kinase domain mutant "TMLR" with compound 30
分子名称: 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
1J95
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BU of 1j95 by Molmil
KCSA potassium channel with TBA (tetrabutylammonium) and potassium
分子名称: POTASSIUM ION, TETRABUTYLAMMONIUM ION, VOLTAGE-GATED POTASSIUM CHANNEL
著者Morais-Cabral, J.H, MacKinnon, R, Zhou, M.
登録日2001-05-23
公開日2001-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potassium channel receptor site for the inactivation gate and quaternary amine inhibitors
Nature, 411, 2001
4OD9
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BU of 4od9 by Molmil
Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
登録日2014-01-10
公開日2014-08-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3KTT
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BU of 3ktt by Molmil
Atomic model of bovine TRiC CCT2(beta) subunit derived from a 4.0 Angstrom cryo-EM map
分子名称: T-complex protein 1 subunit beta
著者Cong, Y, Baker, M.L, Ludtke, S.J, Frydman, J, Chiu, W.
登録日2009-11-25
公開日2010-03-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献4.0-A resolution cryo-EM structure of the mammalian chaperonin TRiC/CCT reveals its unique subunit arrangement.
Proc.Natl.Acad.Sci.USA, 107, 2010
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
分子名称: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
分子名称: 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-28
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
4UT5
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BU of 4ut5 by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide
分子名称: CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ...
著者Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B.
登録日2014-07-18
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa.
Front.Microbiol., 7, 2016
6QVP
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BU of 6qvp by Molmil
Crystal structure of the peptidoglycan-binding domain of SiiA from Salmonella enterica
分子名称: Inner membrane protein, PHOSPHATE ION
著者Kirchweger, P, Muller, Y.A.
登録日2019-03-04
公開日2019-08-28
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica.
Mol.Microbiol., 112, 2019

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