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1W50
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BU of 1w50 by Molmil
Apo Structure of BACE (Beta Secretase)
分子名称: BETA-SECRETASE 1, IODIDE ION
著者Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
登録日2004-08-04
公開日2004-09-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
1W51
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BU of 1w51 by Molmil
BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor
分子名称: 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION
著者Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
登録日2004-08-04
公開日2004-09-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
1K9Z
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BU of 1k9z by Molmil
The PAPase Hal2p complexed with zinc ions
分子名称: BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ZINC ION
著者Patel, S, Albert, A, Blundell, T.L.
登録日2001-10-31
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1KA0
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BU of 1ka0 by Molmil
The PAPase Hal2p complexed with a sodium ion and the reaction product AMP
分子名称: ADENOSINE MONOPHOSPHATE, Halotolerance protein HAL2, SODIUM ION
著者Patel, S, Albert, A, Blundell, T.L.
登録日2001-10-31
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1JP4
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BU of 1jp4 by Molmil
Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities
分子名称: 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
著者Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L.
登録日2001-08-01
公開日2001-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
1K9Y
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BU of 1k9y by Molmil
The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate
分子名称: ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ...
著者Patel, S, Albert, A, Blundell, T.L.
登録日2001-10-31
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
1KA1
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BU of 1ka1 by Molmil
The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
著者Patel, S, Albert, A, Blundell, T.L.
登録日2001-10-31
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
5O57
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BU of 5o57 by Molmil
Solution Structure of the N-terminal Region of Dkk4
分子名称: Dickkopf-related protein 4
著者Waters, L.C, Patel, S, Barkell, A.M, Muskett, F.W, Robinson, M.K, Holdsworth, G, Carr, M.D.
登録日2017-06-01
公開日2018-06-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins.
J. Biol. Chem., 293, 2018
2OHR
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BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHS
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BU of 2ohs by Molmil
X-ray crystal structure of beta secretase complexed with compound 6b
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHU
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BU of 2ohu by Molmil
X-ray crystal structure of beta secretase complexed with compound 8b
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHP
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BU of 2ohp by Molmil
X-ray crystal structure of beta secretase complexed with compound 3
分子名称: 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-10
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHQ
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BU of 2ohq by Molmil
X-ray crystal structure of beta secretase complexed with compound 4
分子名称: 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHT
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BU of 2oht by Molmil
X-ray crystal structure of beta secretase complexed with compound 7
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHN
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BU of 2ohn by Molmil
X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine
分子名称: 4-(4-FLUOROBENZYL)PIPERIDINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OF0
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BU of 2of0 by Molmil
X-ray crystal structure of beta secretase complexed with compound 5
分子名称: (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-02
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHM
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BU of 2ohm by Molmil
X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHK
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BU of 2ohk by Molmil
X-ray crystal structure of beta secretase complexed with 1-amino-isoquinoline
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
2OHL
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BU of 2ohl by Molmil
X-ray crystal structure of beta secretase complexed with 2-aminoquinoline
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
4URN
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BU of 4urn by Molmil
Crystal Structure of Staph ParE 24kDa in complex with Novobiocin
分子名称: DNA TOPOISOMERASE IV, B SUBUNIT, NOVOBIOCIN
著者Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
登録日2014-07-01
公開日2014-07-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
3D7Z
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BU of 3d7z by Molmil
Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide, ...
著者Somers, D.O, Patel, S.
登録日2008-05-22
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity.
Bioorg.Med.Chem.Lett., 18, 2008
4URO
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BU of 4uro by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin
分子名称: DNA GYRASE SUBUNIT B, NOVOBIOCIN
著者Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
登録日2014-07-01
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4URM
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BU of 4urm by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin
分子名称: (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B
著者Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
登録日2014-06-30
公開日2014-07-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4ZTJ
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BU of 4ztj by Molmil
Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
分子名称: (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
著者Klein, D.J, Patel, S.
登録日2015-05-14
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
4ZTF
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BU of 4ztf by Molmil
Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
分子名称: (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ...
著者Klein, D.J, Patel, S.
登録日2015-05-14
公開日2015-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015

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