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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
Descriptor: 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
Authors:Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L.
Deposit date:2001-08-01
Release date:2001-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
1K9Z
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BU of 1k9z by Molmil
The PAPase Hal2p complexed with zinc ions
Descriptor: BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ZINC ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1K9Y
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BU of 1k9y by Molmil
The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ...
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ...
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
1KA0
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BU of 1ka0 by Molmil
The PAPase Hal2p complexed with a sodium ion and the reaction product AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Halotolerance protein HAL2, SODIUM ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
1W50
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BU of 1w50 by Molmil
Apo Structure of BACE (Beta Secretase)
Descriptor: BETA-SECRETASE 1, IODIDE ION
Authors:Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
Deposit date:2004-08-04
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION
Authors:Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
Deposit date:2004-08-04
Release date:2004-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
5O57
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BU of 5o57 by Molmil
Solution Structure of the N-terminal Region of Dkk4
Descriptor: Dickkopf-related protein 4
Authors:Waters, L.C, Patel, S, Barkell, A.M, Muskett, F.W, Robinson, M.K, Holdsworth, G, Carr, M.D.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
2OHU
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BU of 2ohu by Molmil
X-ray crystal structure of beta secretase complexed with compound 8b
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2OHR
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BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of 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
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-02
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to 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
Descriptor: 4-(4-FLUOROBENZYL)PIPERIDINE, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
4URM
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BU of 4urm by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin
Descriptor: (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
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-06-30
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4URL
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BU of 4url by Molmil
Crystal Structure of Staph ParE43kDa in complex with KBD
Descriptor: (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 TOPOISOMERASE IV, B SUBUNIT
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-06-30
Release date:2014-07-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4URN
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BU of 4urn by Molmil
Crystal Structure of Staph ParE 24kDa in complex with Novobiocin
Descriptor: DNA TOPOISOMERASE IV, B SUBUNIT, NOVOBIOCIN
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-07-01
Release date:2014-07-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
1I57
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BU of 1i57 by Molmil
CRYSTAL STRUCTURE OF APO HUMAN PTP1B (C215S) MUTANT
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHO-TYROSINE PHOSPHATASE 1B
Authors:Scapin, G, Patel, S, Patel, V, Kennedy, B, Asante-Appiah, E.
Deposit date:2001-02-26
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of apo protein-tyrosine phosphatase 1B C215S mutant: more than just an S --> O change.
Protein Sci., 10, 2001
1LQF
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BU of 1lqf by Molmil
Structure of PTP1b in Complex with a Peptidic Bisphosphonate Inhibitor
Descriptor: N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE, protein-tyrosine phosphatase, non-receptor type 1
Authors:Asante-Appiah, E, Patel, S, Dufresne, C, Scapin, G.
Deposit date:2002-05-10
Release date:2002-07-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of PTP-1B in complex with a peptide inhibitor reveals an alternative binding mode for bisphosphonates.
Biochemistry, 41, 2002
4URO
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BU of 4uro by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin
Descriptor: DNA GYRASE SUBUNIT B, NOVOBIOCIN
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-07-01
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014

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