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5ESK
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BU of 5esk by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with itraconazole
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESL
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Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESN
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BU of 5esn by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5ESM
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BU of 5esm by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
1BL5
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BU of 1bl5 by Molmil
ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION
分子名称: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ...
著者Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E.
登録日1998-07-23
公開日1999-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs.
Nat.Struct.Biol., 5, 1998
1CII
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BU of 1cii by Molmil
COLICIN IA
分子名称: COLICIN IA
著者Wiener, M, Freymann, D, Ghosh, P, Stroud, R.
登録日1997-01-08
公開日1998-01-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of colicin Ia.
Nature, 385, 1997
1CW7
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BU of 1cw7 by Molmil
LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
著者Stroud, M.R, Finer-Moore, J.
登録日1999-08-25
公開日1999-09-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
1CW4
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CRYSTAL STRUCTURE OF K230M ISOCITRATE DEHYDROGENASE IN COMPLEX WITH ALPHA-KETOGLUTARATE
分子名称: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MANGANESE (II) ION, ...
著者Stroud, M.R, Finer-Moore, J.
登録日1999-08-25
公開日1999-09-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
1CW1
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BU of 1cw1 by Molmil
CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE MUTANT K230M BOUND TO ISOCITRATE AND MN2+
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MANGANESE (II) ION, ...
著者Stroud, R, Finer-Moore, J.
登録日1999-08-25
公開日1999-09-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
3INK
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BU of 3ink by Molmil
UNRAVELING THE STRUCTURE OF INTERLEUKIN-2: REPLY
分子名称: INTERLEUKIN-2
著者Mckay, D.B, Brandhuber, B.J.
登録日1992-12-09
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Response.
Science, 257, 1992
4KPW
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BU of 4kpw by Molmil
Crystal structure of His-tagged human thymidylate synthase R175A mutant
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Pozzi, C, Mangani, S.
登録日2013-05-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
5V5Z
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BU of 5v5z by Molmil
Structure of CYP51 from the pathogen Candida albicans
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
登録日2017-03-15
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
3B7D
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BU of 3b7d by Molmil
Crystal structure of the GLUR2 ligand binding core (HS1S2J) in complex with CNQX at 2.5 A resolution
分子名称: 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile, Glutamate receptor 2
著者Hays, F.A, Center for Structures of Membrane Proteins (CSMP)
登録日2007-10-30
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献TARP auxiliary subunits switch AMPA receptor antagonists into partial agonists.
Science, 318, 2007
4O1X
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BU of 4o1x by Molmil
Crystal structure of human thymidylate synthase double mutant C195S-Y202C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Pozzi, C, Mangani, S.
登録日2013-12-16
公開日2015-01-21
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
1TYS
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BU of 1tys by Molmil
WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUCT COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS
分子名称: DIHYDROFOLIC ACID, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE SYNTHASE
著者Fauman, E, Rutenber, E, Stroud, R.
登録日1993-05-07
公開日1994-06-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water-mediated substrate/product discrimination: the product complex of thymidylate synthase at 1.83 A.
Biochemistry, 33, 1994
4O1U
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Crystal structure of human thymidylate synthase mutant Y202C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Pozzi, C, Mangani, S.
登録日2013-12-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
5JLC
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BU of 5jlc by Molmil
Structure of CYP51 from the pathogen Candida glabrata
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ...
著者Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
登録日2016-04-26
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
1LS1
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BU of 1ls1 by Molmil
T. aquaticus Ffh NG Domain at 1.1A Resolution
分子名称: MAGNESIUM ION, OXYGEN MOLECULE, SIGNAL RECOGNITION PARTICLE PROTEIN
著者Ramirez, U.D, Minasov, G, Freymann, D.M.
登録日2002-05-16
公開日2002-11-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis for Mobility in the 1.1 A Crystal Structure of the NG Domain of Thermus aquaticus Ffh
J.Mol.Biol., 320, 2002
1C1T
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, MAGNESIUM ION, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2L
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: CALCIUM ION, CHLORIDE ION, TRYPSIN, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1P
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2M
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: CALCIUM ION, MAGNESIUM ION, SULFATE ION, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1N
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1W
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, Hirudin-2, SODIUM ION, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2H
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, MAGNESIUM ION, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998

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