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3WR2
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BU of 3wr2 by Molmil
RNase Po1 complexed with 3'GMP
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease Po1
Authors:Hara, Y, Katsutani, T, Kobayashi, H, Suzuki, M.
Deposit date:2014-02-13
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:RNase Po1 complexed with 3'GMP
to be published
3WHO
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BU of 3who by Molmil
X-ray-Crystallographic Structure of an RNase Po1 Exhibiting Anti-tumor Activity
Descriptor: Guanyl-specific ribonuclease Po1
Authors:Kobayashi, H, Katsurtani, T, Hara, Y, Motoyoshi, N, Itagaki, T, Akita, F, Higashiura, A, Yamada, Y, Suzuki, M, Inokuchi, N.
Deposit date:2013-08-30
Release date:2014-07-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray crystallographic structure of RNase Po1 that exhibits anti-tumor activity.
Biol.Pharm.Bull., 37, 2014
3AXB
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BU of 3axb by Molmil
Structure of a dye-linked L-proline dehydrogenase from the aerobic hyperthermophilic archaeon, Aeropyrum pernix
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, PROLINE, ...
Authors:Sakuraba, H, Ohshima, T, Satomura, T, Yoneda, K, Hara, Y.
Deposit date:2011-04-01
Release date:2012-04-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of Novel Dye-linked L-Proline Dehydrogenase from Hyperthermophilic Archaeon Aeropyrum pernix
J.Biol.Chem., 287, 2012
7VBU
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BU of 7vbu by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5
Descriptor: 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VBX
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BU of 7vbx by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20
Descriptor: (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7VBV
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BU of 7vbv by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
2DXS
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BU of 2dxs by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor
Descriptor: Genome polyprotein, N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE
Authors:Adachi, T, Tsuruha, J, Doi, S, Murase, K, Ikegashira, K, Watanabe, S, Uehara, K, Orita, T, Nomura, A, Kamada, M.
Deposit date:2006-08-30
Release date:2006-12-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Conformationally Constrained Tetracyclic Compounds as Potent Hepatitis C Virus NS5B RNA Polymerase Inhibitors
J.Med.Chem., 49, 2006
7C3N
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BU of 7c3n by Molmil
Crystal structure of JAK3 in complex with Delgocitinib
Descriptor: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3
Authors:Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
Deposit date:2020-05-13
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
3VQR
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BU of 3vqr by Molmil
Structure of a dye-linked L-proline dehydrogenase mutant from the aerobic hyperthermophilic archaeon, Aeropyrum pernix
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Sakuraba, H, Ohshima, T, Satomura, T, Yoneda, K.
Deposit date:2012-03-29
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Novel Dye-linked L-Proline Dehydrogenase from Hyperthermophilic Archaeon Aeropyrum pernix
J.Biol.Chem., 287, 2012

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