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PDB: 31 件
7SJ3
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BU of 7sj3 by Molmil
Structure of CDK4-Cyclin D3 bound to abemaciclib
分子名称: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Hilgers, M.T, Pelletier, L.A.
登録日2021-10-15
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure of CDK4-Cyclin D3 bound to abemaciclib
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
1IE0
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BU of 1ie0 by Molmil
CRYSTAL STRUCTURE OF LUXS
分子名称: AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, GLYCEROL, ZINC ION
著者Hilgers, M.T, Ludwig, M.L.
登録日2001-04-05
公開日2001-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site.
Proc.Natl.Acad.Sci.USA, 98, 2001
4LEK
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BU of 4lek by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
分子名称: 7-[5,6-dimethoxy-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2013-06-25
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
4LAE
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BU of 4lae by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
分子名称: 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 (1.69 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
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
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
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, 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
4HWT
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BU of 4hwt by Molmil
Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, cytoplasmic, ...
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWO
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BU of 4hwo by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWR
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BU of 4hwr by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWS
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BU of 4hws by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWP
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BU of 4hwp by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
分子名称: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
著者Hilgers, M.T.
登録日2012-11-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
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
4LAH
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BU of 4lah by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
分子名称: 7-[5,6-dimethyl-2-(1,3-thiazol-4-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 (1.88 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
1XU7
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BU of 1xu7 by Molmil
Crystal Structure of the Interface Open Conformation of Tetrameric 11b-HSD1
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ...
著者Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K.
登録日2004-10-25
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation.
J.Biol.Chem., 280, 2005
1XU9
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BU of 1xu9 by Molmil
Crystal Structure of the Interface Closed Conformation of 11b-hydroxysteroid dehydrogenase isozyme 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, ...
著者Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K.
登録日2004-10-25
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation.
J.Biol.Chem., 280, 2005
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
著者Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
登録日2019-08-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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
1P31
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BU of 1p31 by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae
分子名称: MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
著者Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
登録日2003-04-16
公開日2003-07-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1P3D
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BU of 1p3d by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ...
著者Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
登録日2003-04-17
公開日2003-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003

 

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