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4M8B
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BU of 4m8b by Molmil
Fungal Protein
Descriptor: 1,2-ETHANEDIOL, Chain A of dsDNA containing the cis-regulatory element, Chain B of dsDNA containing the cis-regulatory element, ...
Authors:Rosenberg, O.S, Lohse, M.L, Stroud, R.M, Johnson, A.D.
Deposit date:2013-08-13
Release date:2014-06-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure of a new DNA-binding domain which regulates pathogenesis in a wide variety of fungi.
Proc.Natl.Acad.Sci.USA, 111, 2014
5JLC
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BU of 5jlc by Molmil
Structure of CYP51 from the pathogen Candida glabrata
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, CHLORIDE ION, Lanosterol 14-alpha demethylase, ...
Authors:Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
Deposit date:2016-04-26
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
1BTX
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BU of 1btx by Molmil
Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected by Binding or Chemistry on an Enzyme Surface
Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
1BTY
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BU of 1bty by Molmil
Crystal structure of beta-trypsin in complex with benzamidine
Descriptor: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
1BTW
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BU of 1btw by Molmil
Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface
Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
1BTZ
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BU of 1btz by Molmil
Episelection: novel KI ~nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface
Descriptor: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide
Authors:Stroud, R.M, Katz, B.A, Finer-Moore, J.
Deposit date:1995-05-17
Release date:1995-10-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
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
1TDA
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BU of 1tda by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
1TDC
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BU of 1tdc by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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
1SYN
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BU of 1syn by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 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:Stout, T.J, Stroud, R.M.
Deposit date:1995-09-19
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The complex of the anti-cancer therapeutic, BW1843U89, with thymidylate synthase at 2.0 A resolution: implications for a new mode of inhibition.
Structure, 4, 1996
1TDB
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BU of 1tdb by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
5V5Z
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BU of 5v5z by Molmil
Structure of CYP51 from the pathogen Candida albicans
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:Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
Deposit date:2017-03-15
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
1AJM
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BU of 1ajm by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-05-06
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
5EQB
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BU of 5eqb by Molmil
Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to 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:Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2015-11-12
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
1C1T
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BU of 1c1t by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, MAGNESIUM 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 (1.37 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2L
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BU of 1c2l by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: CALCIUM ION, CHLORIDE ION, TRYPSIN, ...
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 (1.5 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2I
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BU of 1c2i by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, 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 (1.47 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1Q
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BU of 1c1q by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, CALCIUM ION, MAGNESIUM 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 (1.37 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1O
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BU of 1c1o by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: CALCIUM ION, MAGNESIUM ION, SULFATE 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 (1.4 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1V
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BU of 1c1v by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, Hirudin-2, SODIUM ION, ...
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 (1.98 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C2D
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BU of 1c2d by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE, CALCIUM ION, MAGNESIUM 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
1C1P
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BU of 1c1p 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
1C2M
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BU of 1c2m by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: CALCIUM ION, MAGNESIUM ION, SULFATE 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 (1.4 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998

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