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6TET
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BU of 6tet by Molmil
The structure of CYP121 in complex with inhibitor L21
分子名称: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49986887 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TEV
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BU of 6tev by Molmil
The structure of CYP121 in complex with inhibitor L44
分子名称: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.70001268 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6F0A
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BU of 6f0a by Molmil
Crystal structure of human indoleamine 2,3-dioxygenase bound to a triazole inhibitor and alanine molecule.
分子名称: ALANINE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Swan, M.K, Latchem, M.
登録日2017-11-17
公開日2017-12-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献New 4-Amino-1,2,3-Triazole Inhibitors of Indoleamine 2,3-Dioxygenase Form a Long-Lived Complex with the Enzyme and Display Exquisite Cellular Potency.
Chembiochem, 19, 2018
5A4K
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BU of 5a4k by Molmil
Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
著者Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P.
登録日2015-06-10
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
9FOZ
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BU of 9foz by Molmil
Cocrystal structure of IDO with a bound inhibitor
分子名称: (R)-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol, DIMETHYL SULFOXIDE, Indoleamine 2,3-dioxygenase 1, ...
著者Wicki, M, Mac Sweeney, A.
登録日2024-06-12
公開日2025-04-02
最終更新日2025-10-08
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Cellular Potency Optimization of Novel Heme-Binding Imidazo[5,1- b ]thiazoles, Imidazo[1,5- a ]pyridines and Pyrazines as Potent IDO1 Inhibitors Devoid of Cytochrome P450 Inhibition.
J.Med.Chem., 2025
5L01
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BU of 5l01 by Molmil
Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
分子名称: (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C.
登録日2016-07-26
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5LSM
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BU of 5lsm by Molmil
Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
分子名称: FLAVIN MONONUCLEOTIDE, FMN-dependent nitronate monooxygenase, GLYCEROL
著者Baker, G.E, Race, P.R.
登録日2016-09-04
公開日2016-09-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
To Be Published
7DYQ
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BU of 7dyq by Molmil
Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
分子名称: 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile, FE (III) ION, Lysine-specific demethylase 4D
著者Wang, T, Yang, L.
登録日2021-01-22
公開日2022-01-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
To Be Published
6TE7
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BU of 6te7 by Molmil
The structure of CYP121 in complex with inhibitor S2
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-11
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.50001824 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
3ZHO
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BU of 3zho by Molmil
X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution
分子名称: FLAVIN MONONUCLEOTIDE, FLAVOPROTEIN WRBA
著者Kishko, I, Lapkouski, M, Brynda, J, Kuty, M, Carey, J, Smatanova, I.K, Ettrich, R.
登録日2012-12-23
公開日2013-08-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献1.2 A Resolution Crystal Structure of Escherichia Coli Wrba Holoprotein
Acta Crystallogr.,Sect.D, 69, 2013
5M8P
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BU of 5m8p by Molmil
Crystal structure of human tyrosinase related protein 1 in complex with tyrosine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
登録日2016-10-29
公開日2017-07-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
3BU7
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BU of 3bu7 by Molmil
Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi
分子名称: FE (II) ION, Gentisate 1,2-dioxygenase
著者Chen, J, Wang, M.Z, Zhu, G.Y, Zhang, X.C, Rao, Z.H.
登録日2008-01-02
公開日2008-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Protein Sci., 17, 2008
7CDC
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BU of 7cdc by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDF
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BU of 7cdf by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDG
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BU of 7cdg by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
3KCY
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BU of 3kcy by Molmil
Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline
分子名称: FE (II) ION, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Moon, H, Han, S, Choe, J.
登録日2009-10-22
公開日2010-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
7CDD
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BU of 7cdd by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDE
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BU of 7cde by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
5M8L
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BU of 5m8l by Molmil
Crystal structure of human tyrosinase related protein 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
登録日2016-10-29
公開日2017-07-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
5KAI
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BU of 5kai by Molmil
NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.80000925 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
1NDO
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BU of 1ndo by Molmil
NAPHTHALENE 1,2-DIOXYGENASE
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, NAPHTHALENE 1,2-DIOXYGENASE
著者Ramaswamy, S, Kauppi, B, Carredano, E.
登録日1998-01-11
公開日1999-03-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase.
Structure, 6, 1998
5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5M8M
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BU of 5m8m by Molmil
Crystal structure of human tyrosinase related protein 1 in complex with kojic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
登録日2016-10-29
公開日2017-07-12
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
5M8Q
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BU of 5m8q by Molmil
Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with kojic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
登録日2016-10-29
公開日2017-07-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
6EHA
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BU of 6eha by Molmil
Heme oxygenase 1 in complex with inhibitor
分子名称: 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Grudnik, P, Mieczkowski, M.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019

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