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3GT8
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BU of 3gt8 by Molmil
Crystal structure of the inactive EGFR kinase domain in complex with AMP-PNP
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Jura, N, Endres, N.F, Engel, K, Deindl, S, Das, R, Lamers, M.H, Wemmer, D.E, Zhang, X, Kuriyan, J.
登録日2009-03-27
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献Mechanism for activation of the EGF receptor catalytic domain by the juxtamembrane segment.
Cell(Cambridge,Mass.), 137, 2009
3ROF
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BU of 3rof by Molmil
Crystal Structure of the S. aureus Protein Tyrosine Phosphatase PtpA
分子名称: Expression tag cleaved from protein-tyrosine-phosphatase ptpA, Low molecular weight protein-tyrosine-phosphatase ptpA, PHOSPHATE ION
著者Grundner, C, Chou, S, Engel, K.
登録日2011-04-25
公開日2011-09-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Structure and substrate recognition of the Staphylococcus aureus protein tyrosine phosphatase PtpA.
J.Mol.Biol., 413, 2011
4W1O
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BU of 4w1o by Molmil
PDE4D complexed with inhibitor
分子名称: N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D
著者Sorensen, M.D.
登録日2014-08-14
公開日2014-11-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis
J.Med.Chem, 57, 2014
4WCU
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BU of 4wcu by Molmil
PDE4 complexed with inhibitor
分子名称: MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ...
著者Sorensen, M.D.
登録日2014-09-05
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis.
J. Med. Chem., 57, 2014
2VDG
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BU of 2vdg by Molmil
Barley Aldose Reductase 1 complex with butanol
分子名称: 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
登録日2007-10-08
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008
2BGQ
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BU of 2bgq by Molmil
apo aldose reductase from barley
分子名称: ALDOSE REDUCTASE, SULFATE ION
著者Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
登録日2005-01-04
公開日2006-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008
2BGS
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BU of 2bgs by Molmil
HOLO ALDOSE REDUCTASE FROM BARLEY
分子名称: ALDOSE REDUCTASE, BICARBONATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
登録日2005-01-05
公開日2006-06-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008
7PUI
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BU of 7pui by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid
分子名称: Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-09-30
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7PVE
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BU of 7pve by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole
分子名称: 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-02
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7PVG
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BU of 7pvg by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid
分子名称: Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-02
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7PVF
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BU of 7pvf by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione
分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-02
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q3M
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BU of 7q3m by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxypiperidine
分子名称: (3S)-piperidin-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-28
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7Q2V
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BU of 7q2v by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-methylpyrrolidin-3-ol
分子名称: (3R)-1-methylpyrrolidin-3-ol, Cholinephosphate cytidylyltransferase
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-26
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q2K
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BU of 7q2k by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyrrolidinone
分子名称: Cholinephosphate cytidylyltransferase, pyrrolidin-2-one
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-25
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7Q3W
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BU of 7q3w by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (R)-2-Aminobutanamide hydrochloride
分子名称: (R)-2-Aminobutanamide, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-28
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7Q2I
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BU of 7q2i by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine
分子名称: 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-25
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q2L
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BU of 7q2l by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Aminopyrrolidin-2-one hydrochloride
分子名称: (3R)-3-aminopyrrolidin-2-one, Cholinephosphate cytidylyltransferase
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-25
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q2M
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BU of 7q2m by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with but-3-yn-2-amine hydrochloride
分子名称: (2S)-but-3-yn-2-amine, Cholinephosphate cytidylyltransferase
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.F.
登録日2021-10-25
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7PYA
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BU of 7pya by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Hydroxyazetidine hydrochloride
分子名称: Cholinephosphate cytidylyltransferase, azetidin-3-ol
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-09
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7PY9
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BU of 7py9 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (pyrrolidin-2-yl)methanol
分子名称: Cholinephosphate cytidylyltransferase, D-Prolinol
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-09
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7PYB
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BU of 7pyb by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine
分子名称: 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-09
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7PYC
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BU of 7pyc by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine
分子名称: 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-09
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q9W
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BU of 7q9w by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-(aminomethyl)pyridin-2-amine
分子名称: 4-(aminomethyl)pyridin-2-amine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-15
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7QA7
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BU of 7qa7 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cyclopropanemethylamine
分子名称: Cholinephosphate cytidylyltransferase, cyclopropylmethanamine
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q9V
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BU of 7q9v by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine
分子名称: 1,3-oxazol-4-ylmethanamine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-11-15
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published

 

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