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1DNA
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BU of 1dna by Molmil
D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
登録日1998-06-25
公開日1998-11-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
4M8B
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BU of 4m8b by Molmil
Fungal Protein
分子名称: 1,2-ETHANEDIOL, Chain A of dsDNA containing the cis-regulatory element, Chain B of dsDNA containing the cis-regulatory element, ...
著者Rosenberg, O.S, Lohse, M.L, Stroud, R.M, Johnson, A.D.
登録日2013-08-13
公開日2014-06-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of a new DNA-binding domain which regulates pathogenesis in a wide variety of fungi.
Proc.Natl.Acad.Sci.USA, 111, 2014
1KCE
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BU of 1kce by Molmil
E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Sage, C.R, Rutenber, E.E, Stout, T.J, Stroud, R.M.
登録日1996-10-22
公開日1997-04-21
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
4LAB
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BU of 4lab by Molmil
Crystal structure of the catalytic domain of RluB
分子名称: CHLORIDE ION, PLATINUM (II) ION, Ribosomal large subunit pseudouridine synthase B
著者Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M.
登録日2013-06-19
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5043 Å)
主引用文献The mechanism of pseudouridine synthases from a covalent complex with RNA, and alternate specificity for U2605 versus U2604 between close homologs.
Nucleic Acids Res., 42, 2014
4LGT
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BU of 4lgt by Molmil
Crystal structure of the catalytic domain of RluB in complex with a 21-nucleotide RNA substrate
分子名称: Ribosomal large subunit pseudouridine synthase B, stem-loop of 23S rRNA
著者Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M.
登録日2013-06-28
公開日2013-11-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The mechanism of pseudouridine synthases from a covalent complex with RNA, and alternate specificity for U2605 versus U2604 between close homologs.
Nucleic Acids Res., 42, 2014
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
5EQB
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BU of 5eqb by Molmil
Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to 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)
登録日2015-11-12
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
1SYN
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BU of 1syn by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 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
著者Stout, T.J, Stroud, R.M.
登録日1995-09-19
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
登録日1993-02-15
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 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, ...
著者Weichsel, A, Montfort, W.R.
登録日1995-08-15
公開日1996-01-29
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-induced distortion of an active site in thymidylate synthase upon binding anticancer drug 1843U89.
Nat.Struct.Biol., 2, 1995
1TLC
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BU of 1tlc by Molmil
THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89
分子名称: 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
著者Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F.
登録日1995-03-07
公開日1995-06-03
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Promotion of purine nucleotide binding to thymidylate synthase by a potent folate analogue inhibitor, 1843U89.
Proc.Natl.Acad.Sci.USA, 92, 1995
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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
登録日1993-02-15
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
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
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
登録日1993-02-15
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献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
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
分子名称: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
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
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)
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-10-23
公開日1998-10-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
1AJM
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BU of 1ajm by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
分子名称: THYMIDYLATE SYNTHASE
著者Strop, P, Montfort, W.R.
登録日1997-05-06
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
1C1T
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BU of 1c1t by Molmil
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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BU of 1c2l by Molmil
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
1C1Q
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BU of 1c1q by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-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
1C1P
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BU of 1c1p by Molmil
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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BU of 1c2m by Molmil
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

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