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7D56
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BU of 7d56 by Molmil
Structure of the peptidylarginine deiminase type III (PAD3) in complex with Cl-amidine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Funabashi, K, Unno, M.
Deposit date:2020-09-25
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.175 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D8N
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BU of 7d8n by Molmil
Structure of the inactive form of wild-type peptidylarginine deiminase type III (PAD3) crystallized under the condition with high concentrations of Ca2+
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Funabashi, K, Sawata, M, Unno, M.
Deposit date:2020-10-08
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
3A60
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BU of 3a60 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form I)
Descriptor: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-17
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A62
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BU of 3a62 by Molmil
Crystal structure of phosphorylated p70S6K1
Descriptor: MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3A61
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BU of 3a61 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form II)
Descriptor: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
Authors:Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
Deposit date:2009-08-18
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
7DAN
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BU of 7dan by Molmil
Structure of the Ca2+-bound wild-type peptidylarginine deiminase type III (PAD3)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Sawata, M, Unno, M.
Deposit date:2020-10-16
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D5R
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BU of 7d5r by Molmil
Structure of the Ca2+-bound C646A mutant of peptidylarginine deiminase type III (PAD3)
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Mashimo, R, Akimoto, M, Unno, M.
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.148 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D5V
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BU of 7d5v by Molmil
Structure of the C646A mutant of peptidylarginine deiminase type III (PAD3)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein-arginine deiminase type-3
Authors:Akimoto, M, Mashimo, R, Unno, M.
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
7D4Y
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BU of 7d4y by Molmil
Structure of human wild-type peptidylarginine deiminase type III (PAD3)
Descriptor: Protein-arginine deiminase type-3
Authors:Unno, M.
Deposit date:2020-09-24
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.962 Å)
Cite:Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design.
Arch.Biochem.Biophys., 708, 2021
5ZR3
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BU of 5zr3 by Molmil
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
Descriptor: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha
Authors:Uno, T, Chong, K.T, Suzuki, T.
Deposit date:2018-04-23
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019

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