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1C1U
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BU of 1c1u by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, ACETYL HIRUDIN, ALPHA THROMBIN, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2F
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BU of 1c2f by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1R
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BU of 1c1r by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2K
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BU of 1c2k by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: 5-AMIDINO-BENZIMIDAZOLE, CALCIUM ION, CHLORIDE ION, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
4ZE3
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BU of 4ze3 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZE1
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BU of 4ze1 by Molmil
Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site
Descriptor: Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZE2
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BU of 4ze2 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZDZ
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BU of 4zdz by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZE0
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BU of 4ze0 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4ZDY
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BU of 4zdy by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
5ESI
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BU of 5esi by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESE
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BU of 5ese by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73R mutant complexed with fluconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESF
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BU of 5esf by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESG
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BU of 5esg by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESH
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BU of 5esh by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant in complex with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESJ
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BU of 5esj by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ESK
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BU of 5esk by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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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BU of 5esl by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 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
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of lanosterol 14-alpha demethylase mutants.
To Be Published
5HS1
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BU of 5hs1 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
Deposit date:2016-01-24
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
1TLC
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BU of 1tlc by Molmil
THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE
Authors:Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F.
Deposit date:1995-03-07
Release date:1995-06-03
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promotion of purine nucleotide binding to thymidylate synthase by a potent folate analogue inhibitor, 1843U89.
Proc.Natl.Acad.Sci.USA, 92, 1995
1TSD
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BU of 1tsd by Molmil
THYMIDYLATE SYNTHASE COMPLEX WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) AND FOLATE ANALOG 1843U89
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
Authors:Weichsel, A, Montfort, W.R.
Deposit date:1995-08-15
Release date:1996-01-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand-induced distortion of an active site in thymidylate synthase upon binding anticancer drug 1843U89.
Nat.Struct.Biol., 2, 1995
2RTB
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BU of 2rtb by Molmil
APOSTREPTAVIDIN, PH 3.32, SPACE GROUP I222
Descriptor: ACETATE ION, CHLORIDE ION, SODIUM ION, ...
Authors:Katz, B.A.
Deposit date:1997-09-11
Release date:1998-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
2RTR
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BU of 2rtr by Molmil
STREPTAVIDIN-2-IMINOBIOTIN COMPLEX, PH 4.0, SPACE GROUP I222
Descriptor: 2-IMINOBIOTIN, STREPTAVIDIN
Authors:Katz, B.A.
Deposit date:1997-09-11
Release date:1998-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997

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