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PDB: 86 件
6PD0
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BU of 6pd0 by Molmil
Crystal structure of the bacterial cellulose synthase subunit G (BcsG) from Escherichia coli, catalytic domain
分子名称: Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION
著者Anderson, A.C, Brenner, T, Weadge, J.T.
登録日2019-06-18
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
3F0X
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BU of 3f0x by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
分子名称: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
著者Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
登録日2008-10-27
公開日2009-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
To be Published
6PCZ
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BU of 6pcz by Molmil
Crystal structure of the bacterial cellulose synthase subunit G (BcsG) catalytic domain from Escherichia coli, selenomethionine variant
分子名称: Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION
著者Anderson, A.C, Brenner, T, Weadge, J.T.
登録日2019-06-18
公開日2020-03-18
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
3E0B
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BU of 3e0b by Molmil
Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
分子名称: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Frey, K.M.
登録日2008-07-31
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase
J.Med.Chem., 51, 2008
1F28
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BU of 1f28 by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89
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Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M.
登録日2000-05-23
公開日2001-06-06
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
Chem.Biol., 8, 2001
3SAI
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BU of 3sai by Molmil
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
分子名称: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, DI(HYDROXYETHYL)ETHER, Dihydrofolate reductase, ...
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs targeting Bacillus dihydrofolate reductase
To be Published
3S9U
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BU of 3s9u by Molmil
Bacillus anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP120J
分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Activity Studies of Heterocyclic Propargyl-linked TMP Analogs Targeting Bacillus anthracis Dihydrofolate Reductase
To be Published
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
分子名称: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3SA1
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BU of 3sa1 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1021
分子名称: 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
5IST
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BU of 5ist by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-03-15
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5ISP
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BU of 5isp by Molmil
Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-03-15
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5ISQ
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BU of 5isq by Molmil
Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-03-15
公開日2017-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5JG0
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BU of 5jg0 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191
分子名称: 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Reeve, S.M.
登録日2016-04-19
公開日2017-04-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.
Cell Chem Biol, 23, 2016
1QBP
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BU of 1qbp by Molmil
CRYSTAL STRUCTURE OF A BROMINATED RNA HELIX WITH FOUR MISMATCHED BASE PAIRS
分子名称: 5'-R(*UP*GP*(CBV)P*(CBV)P*AP*GP*UP*UP*CP*GP*CP*UP*GP*GP*C)-3'
著者Anderson, A.C, O'Neil, R.H, Filman, D.J, Frederick, C.A.
登録日1999-04-26
公開日1999-11-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a brominated RNA helix with four mismatched base pairs: An investigation into RNA conformational variability.
Biochemistry, 38, 1999
1SEJ
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BU of 1sej by Molmil
Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
著者Anderson, A.C.
登録日2004-02-17
公開日2004-05-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance.
Acta Crystallogr.,Sect.F, 61, 2005
5HF0
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BU of 5hf0 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
著者Anderson, A.C, Reeve, S.M.
登録日2016-01-06
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.245 Å)
主引用文献Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1106)
To Be Published
1CI7
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BU of 1ci7 by Molmil
TERNARY COMPLEX OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PROTEIN (THYMIDYLATE SYNTHASE)
著者Anderson, A.C, O'Neil, R.H, Delano, W.L, Stroud, R.M.
登録日1999-04-08
公開日2000-04-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural mechanism for half-the-sites reactivity in an enzyme, thymidylate synthase, involves a relay of changes between subunits.
Biochemistry, 38, 1999
3JVX
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BU of 3jvx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
分子名称: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-17
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JW5
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BU of 3jw5 by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and Trimethoprim
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-17
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JW3
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BU of 3jw3 by Molmil
Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-17
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWM
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BU of 3jwm by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
分子名称: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-18
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWC
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BU of 3jwc by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
分子名称: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-18
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3JWK
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BU of 3jwk by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
分子名称: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-18
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3JWF
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BU of 3jwf by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A)
分子名称: (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M, Karri, N.G.
登録日2009-09-18
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3FQO
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BU of 3fqo by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine (UCP120B)
分子名称: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
著者Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
登録日2009-01-07
公開日2009-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009

 

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