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7BJ8
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BU of 7bj8 by Molmil
Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
2MJH
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BU of 2mjh by Molmil
Solution structure of the GLD-1 RNA-binding domain in complex with RNA
分子名称: 5'-CUACUCAUAU-3', Female germline-specific tumor suppressor gld-1
著者Daubner, G.M, Allain, F.H.-T.
登録日2014-01-09
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1.
Nucleic Acids Res., 42, 2014
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.565 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5MWF
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BU of 5mwf by Molmil
Human Jagged2 C2-EGF2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MVX
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BU of 5mvx by Molmil
Human DLL4 C2-EGF3
分子名称: Delta-like protein 4, alpha-L-fucopyranose
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-17
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MW7
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Human Jagged2 C2-EGF3
分子名称: Protein jagged-2, alpha-L-fucopyranose
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MWB
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BU of 5mwb by Molmil
Human Notch-2 EGF11-13
分子名称: CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MW5
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BU of 5mw5 by Molmil
Human Jagged2 C2-EGF2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5GXG
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BU of 5gxg by Molmil
High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M.
登録日2016-09-17
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3LKA
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BU of 3lka by Molmil
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
分子名称: 4-methoxybenzenesulfonamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Calderone, V.
登録日2010-01-27
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Entropic contribution to the linking coefficient in fragment based drug design: a case study.
J.Med.Chem., 53, 2010
5LCP
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BU of 5lcp by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
4DO3
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BU of 4do3 by Molmil
Structure of FAAH with a non-steroidal anti-inflammatory drug
分子名称: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, ...
著者Garau, G.
登録日2012-02-09
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Binding Site for Nonsteroidal Anti-inflammatory Drugs in Fatty Acid Amide Hydrolase.
J.Am.Chem.Soc., 135, 2013
3NXA
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BU of 3nxa by Molmil
X-ray structure of the apo form of human S100A16
分子名称: Protein S100-A16
著者Calderone, V.
登録日2010-07-13
公開日2010-11-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
6I57
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BU of 6i57 by Molmil
NMR structure of the third TPR domain of the human SPAG1 protein
分子名称: Sperm-associated antigen 1
著者Chagot, M.E, Quinternet, M.
登録日2018-11-13
公開日2019-06-05
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Binding properties of the quaternary assembly protein SPAG1.
Biochem.J., 476, 2019
6HIQ
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BU of 6hiq by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, I2 conformation
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, 5-hydroxytryptamine receptor 3A, ...
著者Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
登録日2018-08-30
公開日2018-11-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
6IAV
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BU of 6iav by Molmil
CO-AZURIN FROM PSEUDOMONAS AERUGINOSA TREATED WITH HYDROSULFIDE
分子名称: Azurin, CALCIUM ION, COBALT (II) ION
著者Palm, G.J, Kohlhause, D.
登録日2018-11-27
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azurin and HS-: towards implementation of a sensor for HS- detection.
Eur J Inorg Chem, 2019
6HIN
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BU of 6hin by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, F conformation
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, 5-hydroxytryptamine receptor 3A, ...
著者Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
登録日2018-08-30
公開日2018-11-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
6HIO
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BU of 6hio by Molmil
Mouse serotonin 5-HT3 receptor, serotonin-bound, I1 conformation
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, 5-hydroxytryptamine receptor 3A, ...
著者Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
登録日2018-08-30
公開日2018-11-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
6HIS
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BU of 6his by Molmil
Mouse serotonin 5-HT3 receptor, tropisetron-bound, T conformation
分子名称: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
著者Polovinkin, L, Neumann, E, Schoehn, G, Nury, H.
登録日2018-08-30
公開日2018-11-07
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Conformational transitions of the serotonin 5-HT3receptor.
Nature, 563, 2018
1DCJ
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BU of 1dcj by Molmil
SOLUTION STRUCTURE OF YHHP, A NOVEL ESCHERICHIA COLI PROTEIN IMPLICATED IN THE CELL DIVISION
分子名称: YHHP PROTEIN
著者Katoh, E, Hatta, T, Shindo, H, Mizuno, T, Yamazaki, T.
登録日1999-11-05
公開日2001-07-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High precision NMR structure of YhhP, a novel Escherichia coli protein implicated in cell division.
J.Mol.Biol., 304, 2000
1W6K
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BU of 1w6k by Molmil
Structure of human OSC in complex with Lanosterol
分子名称: LANOSTEROL, LANOSTEROL SYNTHASE, octyl beta-D-glucopyranoside
著者Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A.
登録日2004-08-19
公開日2004-10-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase
Nature, 432, 2004
1W6J
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BU of 1w6j by Molmil
Structure of human OSC in complex with Ro 48-8071
分子名称: LANOSTEROL SYNTHASE, TETRADECANE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE, ...
著者Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A.
登録日2004-08-18
公開日2004-10-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase
Nature, 432, 2004

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