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8UDG
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BU of 8udg by Molmil
S1V2-72 Fab bound to EHA2 from influenza B/Malaysia/2506/2004
分子名称: Hemagglutinin, S1V2-72 heavy chain, S1V2-72 light chain
著者Finney, J, Kong, S, Walsh Jr, R.M, Harrison, S.C, Kelsoe, G.
登録日2023-09-28
公開日2023-11-15
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (4.98 Å)
主引用文献Protective human antibodies against a conserved epitope in pre- and postfusion influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
1RQI
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BU of 1rqi by Molmil
Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Dimethylallyl S-Thiolodiphosphate
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, DIPHOSPHATE, Geranyltranstransferase, ...
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-05
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RQJ
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BU of 1rqj by Molmil
Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ...
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-05
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RTR
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BU of 1rtr by Molmil
Crystal Structure of S. Aureus Farnesyl Pyrophosphate Synthase
分子名称: geranyltranstransferase
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-10
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Mol.Biol., 279, 2004
4QRD
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BU of 4qrd by Molmil
Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
分子名称: MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
著者Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J.
登録日2014-06-30
公開日2015-07-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
1UMN
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BU of 1umn by Molmil
Crystal structure of Dps-like peroxide resistance protein (Dpr) from Streptococcus suis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kauko, A, Haataja, S, Pulliainen, A, Finne, J, Papageorgiou, A.C.
登録日2003-08-26
公開日2004-04-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Streptococcus suis Dps-like peroxide resistance protein Dpr: implications for iron incorporation.
J. Mol. Biol., 338, 2004
2CF7
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BU of 2cf7 by Molmil
Asp74Ala mutant crystal structure for Dps-like peroxide resistance protein Dpr from Streptococcus suis.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kauko, A, Pulliainen, A.T, Haataja, S, Finne, J, Papageorgiou, A.C.
登録日2006-02-16
公開日2006-09-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Iron incorporation in Streptococcus suis Dps-like peroxide resistance protein Dpr requires mobility in the ferroxidase center and leads to the formation of a ferrihydrite-like core.
J. Mol. Biol., 364, 2006
2BW1
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BU of 2bw1 by Molmil
Iron-bound crystal structure of Dps-like peroxide resistance protein (Dpr) from Streptococcus suis.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DPS-LIKE PEROXIDE RESISTANCE PROTEIN, ...
著者Kauko, A, Pulliainen, A, Haataja, S, Finne, J, Papageorgiou, A.C.
登録日2005-07-07
公開日2006-09-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Iron incorporation in Streptococcus suis Dps-like peroxide resistance protein Dpr requires mobility in the ferroxidase center and leads to the formation of a ferrihydrite-like core.
J. Mol. Biol., 364, 2006
2UX1
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BU of 2ux1 by Molmil
Identification of two zinc-binding sites in the Streptococcus suis Dpr protein
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Havukainen, H, Kauko, A, Pulliainen, A.T, Haataja, S, Meyer-Klaucke, W, Finne, J, Papageorgiou, A.C.
登録日2007-03-26
公開日2008-05-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of the Zinc- and Terbium-Mediated Inhibition of Ferroxidase Activity in Dps Ferritin- Like Proteins.
Protein Sci., 17, 2008
7N9J
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BU of 7n9j by Molmil
Crystal structure of H2DB in complex with HSF2 melanoma neoantigen
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M.
登録日2021-06-18
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI
To be Published
7NA5
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BU of 7na5 by Molmil
Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen
分子名称: 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ...
著者Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M.
登録日2021-06-19
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
1K5F
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BU of 1k5f by Molmil
SOLUTION STRUCTURE OF THE S-STYRENE ADDUCT IN THE RAS61 SEQUENCE
分子名称: 5'-D(*CP*GP*GP*AP*CP*(ABS)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
著者Hennard, C, Finneman, J, Harris, C.M, Harris, T.M, Stone, M.P.
登録日2001-10-10
公開日2002-01-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The nonmutagenic (R)- and (S)-beta-(N(6)-adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA structure.
Biochemistry, 40, 2001
1K5E
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BU of 1k5e by Molmil
Solution Structure of R-styrene Adduct in the Ras61 Sequence
分子名称: 5'-D(*CP*GP*GP*AP*CP*(ABR)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
著者Hennard, C, Finneman, J, Harris, C.M, Harris, T.M, Stone, M.P.
登録日2001-10-10
公開日2002-01-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The nonmutagenic (R)- and (S)-beta-(N(6)-adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA structure.
Biochemistry, 40, 2001
4K4O
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BU of 4k4o by Molmil
The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor
分子名称: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
登録日2013-04-12
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KSG
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BU of 4ksg by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
分子名称: 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
登録日2013-05-17
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KTN
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BU of 4ktn by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE)
分子名称: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B
著者Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
登録日2013-05-20
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KSH
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BU of 4ksh by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL)
分子名称: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
登録日2013-05-17
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4QRE
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BU of 4qre by Molmil
Structure of Methionyl-tRNA Synthetase in complex with 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
分子名称: 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Hilgers, M.T.
登録日2014-06-30
公開日2015-07-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
3SRS
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BU of 3srs by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRR
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BU of 3srr by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SQY
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BU of 3sqy by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-methoxyphenyl)quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SR5
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BU of 3sr5 by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-06
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRW
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BU of 3srw by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRQ
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BU of 3srq by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
4LAG
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BU of 4lag by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
分子名称: 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.T.
登録日2013-06-19
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014

 

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