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PDB: 1212 件

1BPS
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BU of 1bps by Molmil
MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3')
著者Schwartz, J.S, Rice, J.S, Luxon, B.A, Sayer, J.M, Xie, G, Yeh, H.J.C, Liu, X, Jerina, D.M, Gorenstein, D.G.
登録日1998-08-06
公開日1998-08-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine.
Biochemistry, 36, 1997
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
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
1C2G
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BU of 1c2g by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, 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 (1.65 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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
1C1N
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BU of 1c1n by Molmil
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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BU of 1c1w by Molmil
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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BU of 1c2h by Molmil
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
1C2J
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BU of 1c2j by Molmil
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
1C2E
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BU of 1c2e by Molmil
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1999-07-22
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1C1U
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BU of 1c1u by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, ACETYL HIRUDIN, ALPHA THROMBIN, ...
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 (1.75 Å)
主引用文献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
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, 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 (1.7 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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
1C1R
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BU of 1c1r 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
1C1S
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BU of 1c1s by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, PHOSPHATE 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 (1.63 Å)
主引用文献Recruiting Zn2+ to mediate potent, specific inhibition of serine proteases.
J.Mol.Biol., 292, 1999
7JH4
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BU of 7jh4 by Molmil
Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R.
登録日2020-07-20
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
5QAG
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BU of 5qag by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 9a
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxycarbonylphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAW
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BU of 5qaw by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 27
分子名称: 3-naphthalen-2-ylbenzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAI
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BU of 5qai by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 12a
分子名称: 1,2-ETHANEDIOL, 3-(3-methylsulfonylphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAX
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BU of 5qax by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 28
分子名称: 1,2-ETHANEDIOL, 3-quinolin-6-ylbenzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAC
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BU of 5qac by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 6c
分子名称: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAM
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BU of 5qam by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 17
分子名称: 1,2-ETHANEDIOL, 3-[4-(methylsulfonylamino)phenyl]benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QB3
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BU of 5qb3 by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 40
分子名称: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
5QAA
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OXA-48 IN COMPLEX WITH COMPOUND 6a
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018

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