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4WEP
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BU of 4wep by Molmil
Apo YehZ from Escerichia coli
分子名称: Putative osmoprotectant uptake system substrate-binding protein OsmF
著者Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M.
登録日2014-09-10
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
2V16
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BU of 2v16 by Molmil
Crystal Structure of Renin with Inhibitor 3
分子名称: METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-22
公開日2008-07-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V0Z
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BU of 2v0z by Molmil
Crystal Structure of Renin with Inhibitor 10 (Aliskiren)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-21
公開日2007-07-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V13
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Crystal Structure of Renin with Inhibitor 7
分子名称: N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-21
公開日2008-07-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
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BU of 2v11 by Molmil
Crystal Structure of Renin with Inhibitor 6
分子名称: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V10
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BU of 2v10 by Molmil
Crystal Structure of Renin with Inhibitor 9
分子名称: (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V12
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BU of 2v12 by Molmil
Crystal Structure of Renin with Inhibitor 8
分子名称: N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
著者Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
1R48
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BU of 1r48 by Molmil
Solution structure of the C-terminal cytoplasmic domain residues 468-497 of Escherichia coli protein ProP
分子名称: Proline/betaine transporter
著者Zoetewey, D.L, Tripet, B.P, Kutateladze, T.G, Overduin, M.J, Wood, J.M, Hodges, R.S.
登録日2003-10-03
公開日2003-12-23
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution Structure of the C-terminal Antiparallel Coiled-coil Domain from Escherichia coli Osmosensor ProP.
J.Mol.Biol., 334, 2003
8BSK
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BU of 8bsk by Molmil
Human GLS in complex with compound 3
分子名称: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSL
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BU of 8bsl by Molmil
Human GLS in complex with compound 12
分子名称: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSM
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BU of 8bsm by Molmil
Human GLS in complex with compound 18
分子名称: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
実験手法X-RAY DIFFRACTION (2.782 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSN
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BU of 8bsn by Molmil
Human GLS in complex with compound 27
分子名称: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
4IWV
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BU of 4iwv by Molmil
Crystals structure of Human Glucokinase in complex with small molecule activator
分子名称: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
登録日2013-01-24
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
1NNC
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BU of 1nnc by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) COMPLEXED WITH 4-GUANIDINO-NEU5AC2EN INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Varghese, J.N, Colman, P.M.
登録日1995-03-15
公開日1996-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase.
Protein Sci., 4, 1995

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