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1G27
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BU of 1g27 by Molmil
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Descriptor: 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
Authors:Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G.
Deposit date:2000-10-17
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
1G2A
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BU of 1g2a by Molmil
THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN
Descriptor: ACTINONIN, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
Authors:Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G.
Deposit date:2000-10-18
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
6G5F
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BU of 6g5f by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5G
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BU of 6g5g by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5K
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BU of 6g5k by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, Synaptotagmin-1
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
3FHR
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BU of 3fhr by Molmil
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
Authors:Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T.
Deposit date:2008-12-10
Release date:2009-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
Protein Sci., 19, 2010
3FXW
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BU of 3fxw by Molmil
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
Descriptor: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
Authors:Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
To be Published
3HYZ
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BU of 3hyz by Molmil
Crystal structure of Hsp90 with fragment 42-C03
Descriptor: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragment 42-C03
TO BE PUBLISHED
3HZ5
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BU of 3hz5 by Molmil
Crystal structure of Hsp90 with fragment Z064
Descriptor: Heat shock protein HSP 90-alpha, N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
Authors:Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment Z064
to be published
3HZ1
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BU of 3hz1 by Molmil
Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
Descriptor: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
TO BE PUBLISHED
3HYY
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BU of 3hyy by Molmil
Crystal structure of Hsp90 with fragment 37-D04
Descriptor: Heat shock protein HSP 90-alpha, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment 37-D04
TO BE PUBLISHED
3FT8
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BU of 3ft8 by Molmil
Structure of HSP90 bound with a noval fragment.
Descriptor: (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha
Authors:Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B.
Deposit date:2009-01-12
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
3FT5
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BU of 3ft5 by Molmil
Structure of HSP90 bound with a novel fragment
Descriptor: 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
Authors:Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B.
Deposit date:2009-01-12
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009

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