3VJL
 
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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3VJK
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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3WE7
 | | Crystal Structure of Diacetylchitobiose Deacetylase from Pyrococcus horikoshii | | Descriptor: | ACETIC ACID, GLYCEROL, HEXANE-1,6-DIOL, ... | | Authors: | Mine, S, Nakamura, T, Fukuda, Y, Inoue, T, Uegaki, K, Sato, T. | | Deposit date: | 2013-07-01 | | Release date: | 2014-05-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Expression from engineered Escherichia coli chromosome and crystallographic study of archaeal N,N'-diacetylchitobiose deacetylase
Febs J., 281, 2014
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2ZPX
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2ZJC
 | | TNFR1 selectve TNF mutant; R1-6 | | Descriptor: | GLYCEROL, Tumor necrosis factor | | Authors: | Mukai, Y, Yamagata, Y, Tsutsumi, Y. | | Deposit date: | 2008-03-05 | | Release date: | 2009-01-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Function Relationship of Tumor Necrosis Factor (TNF) and Its Receptor Interaction Based on 3D Structural Analysis of a Fully Active TNFR1-Selective TNF Mutant
J.Mol.Biol., 385, 2009
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3WL3
 | | N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii | | Descriptor: | GLYCEROL, PHOSPHATE ION, Putative uncharacterized protein PH0499, ... | | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Uegaki, K. | | Deposit date: | 2013-11-07 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Expression from engineered Escherichia coli chromosome and crystallographic study of archaeal N,N'-diacetylchitobiose deacetylase
Febs J., 281, 2014
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2E7A
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2ZQB
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6EZ4
 | | NMR structure of the C-terminal domain of the human RPAP3 protein | | Descriptor: | RNA polymerase II-associated protein 3 | | Authors: | Fabre, P, Chagot, M.E, Bragantini, B, Manival, X, Quinternet, M. | | Deposit date: | 2017-11-14 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | SOLUTION NMR | | Cite: | The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones.
Nat Commun, 9, 2018
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3UIX
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3SIC
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8SPN
 | | Crystal structure of macrophage migration inhibitory factor in complex with T614 | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Iguratimod, ... | | Authors: | Pantouris, G, Lolis, E. | | Deposit date: | 2023-05-03 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Iguratimod, an allosteric inhibitor of macrophage migration inhibitory factor (MIF), prevents mortality and oxidative stress in a murine model of acetaminophen overdose.
Mol Med, 30, 2024
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2E4L
 | | Thermodynamic and Structural Analysis of Thermolabile RNase HI from Shewanella oneidensis MR-1 | | Descriptor: | Ribonuclease HI | | Authors: | Tadokoro, T, You, D.J, Chon, H, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2006-12-13 | | Release date: | 2007-05-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, thermodynamic, and mutational analyses of a psychrotrophic RNase HI.
Biochemistry, 46, 2007
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7DKJ
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6FDP
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3UMX
 | | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one | | Descriptor: | (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION | | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | | Deposit date: | 2011-11-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
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5WQJ
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5WQK
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8II3
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BID | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II4
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II1
 | | Crystal structure of V30M-TTR in complex with BID | | Descriptor: | Benziodarone, Transthyretin | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II2
 | | Crystal structure of V30M-TTR in complex with BBM | | Descriptor: | CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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5GN6
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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8J6N
 | | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | | Deposit date: | 2023-04-26 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
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5GN7
 | | Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17 | | Descriptor: | 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, Alternative oxidase, mitochondrial, ... | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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