3C8F
 
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2AV7
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2AV1
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3CXV
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1I2Z
 | | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | | 分子名称: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | 登録日 | 2001-02-12 | | 公開日 | 2002-02-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
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1I30
 | | E. Coli Enoyl Reductase +NAD+SB385826 | | 分子名称: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | 登録日 | 2001-02-12 | | 公開日 | 2002-02-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
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5ER7
 | | Connexin-26 Bound to Calcium | | 分子名称: | CALCIUM ION, Gap junction beta-2 protein | | 著者 | Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J. | | 登録日 | 2015-11-13 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.286 Å) | | 主引用文献 | An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
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8TKN
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter | | 分子名称: | DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit | | 著者 | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | 登録日 | 2023-07-25 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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8TKM
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter | | 分子名称: | 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit | | 著者 | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | 登録日 | 2023-07-25 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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8TKL
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA | | 分子名称: | Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA | | 著者 | Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T. | | 登録日 | 2023-07-25 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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5DFE
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5ERA
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3QIH
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | 分子名称: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ... | | 著者 | Lindemann, I, Heine, A, Klebe, G. | | 登録日 | 2011-01-27 | | 公開日 | 2012-02-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Novel inhibitors for HIV-1 protease
To be Published
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3PSU
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3PSY
 | | Endothiapepsin in complex with an inhibitor based on the Gewald reaction | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-12-02 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3QRO
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor | | 分子名称: | 4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, DITHIANE DIOL, ... | | 著者 | Lindemann, I, Heine, A, Klebe, G. | | 登録日 | 2011-02-18 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.616 Å) | | 主引用文献 | Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
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3QRS
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3QBF
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3QN8
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | 分子名称: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | | 著者 | Lindemann, I, Heine, A, Klebe, G. | | 登録日 | 2011-02-08 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.382 Å) | | 主引用文献 | Novel inhibitors for HIV-1 protease
To be Published
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3QOB
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3QP0
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | 分子名称: | (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | | 著者 | Lindemann, I, Heine, A, Klebe, G. | | 登録日 | 2011-02-11 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Novel inhibitors for HIV-1 protease
To be Published
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3QRM
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3QPJ
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7P5K
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | 分子名称: | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | 著者 | Davies, T.G. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6CSN
 | | Crystal structure of the designed light-gated anion channel iC++ at pH8.5 | | 分子名称: | CHLORIDE ION, OLEIC ACID, RETINAL, ... | | 著者 | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | 登録日 | 2018-03-21 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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