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9AU2
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BU of 9au2 by Molmil
VIR-7229 Fab fragment bound the BA.2.86 spike trimer (global refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Tortorici, M.A, Park, Y.J, Veelser, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-02-28
公開日2024-10-16
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 187, 2024
8F82
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BU of 8f82 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8F83
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Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
分子名称: 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, IMIDAZOLE, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8F84
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BU of 8f84 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
分子名称: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8F80
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BU of 8f80 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
分子名称: 1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8F85
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BU of 8f85 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
分子名称: 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8F81
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BU of 8f81 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
分子名称: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-21
公開日2023-12-13
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 67, 2024
8G0V
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BU of 8g0v by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8G0R
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BU of 8g0r by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8G0U
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BU of 8g0u by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
8G0T
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BU of 8g0t by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
分子名称: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
9AU1
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BU of 9au1 by Molmil
SARS-CoV-2 XBB.1.5 RBD bound to the VIR-7229 and the S309 Fab fragments
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Rietz, T, Park, Y.J, Errico, J, Czudnochowski, N, Nix, J.C, Corti, D, Snell, G, Marco, A.D, Pinto, D, Cameroni, E, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D, Structural Genomics Consortium (SGC)
登録日2024-02-27
公開日2024-10-16
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 187, 2024
4YLG
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BU of 4ylg by Molmil
Structure of an ADP ribosylation factor from Entamoeba histolytica HM-1:IMSS bound to Mg-GDP
分子名称: ADP-ribosylation factor, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-03-05
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of an ADP-ribosylation factor, ARF1, from Entamoeba histolytica bound to Mg(2+)-GDP.
Acta Crystallogr.,Sect.F, 71, 2015
8VJ2
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BU of 8vj2 by Molmil
Crystal Structure of Macrophage migration inhibitory factor-1 (MIF1) from Onchocerca volvulus
分子名称: Macrophage migration inhibitory factor-1, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-01-05
公開日2024-01-17
最終更新日2024-12-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of N-terminally hexahistidine-tagged Onchocerca volvulus macrophage migration inhibitory factor-1.
Acta Crystallogr.,Sect.F, 80, 2024
5E3I
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BU of 5e3i by Molmil
Crystal Structure of a Histidyl-tRNA synthetase from Acinetobacter baumannii with bound L-Histidine and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, HISTIDINE, Histidine--tRNA ligase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-10-02
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of a Histidyl-tRNA synthetase from Acinetobacter baumannii with bound L-Histidine and ATP
to be published
6MJN
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BU of 6mjn by Molmil
Crystal structure of an organic hydroperoxide resistance protein OsmC, predicted redox protein, regulator of sulfide bond formation from Legionella pneumophila
分子名称: CHLORIDE ION, Organic hydroperoxide resistance protein
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-09-21
公開日2018-10-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of an organic hydroperoxide resistance protein OsmC, predicted redox protein, regulator of sulfide bond formation from Legionella pneumophila
To Be Published
4OL9
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BU of 4ol9 by Molmil
Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-01-23
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
To be Published
8DQC
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BU of 8dqc by Molmil
Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form)
分子名称: 3-dehydroquinate dehydratase I, ACETATE ION, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-18
公開日2022-07-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form)
To be published
8DQ9
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BU of 8dq9 by Molmil
Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
分子名称: 3-dehydroquinate dehydratase I, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-18
公開日2022-07-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
To be published
8DQB
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BU of 8dqb by Molmil
Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form)
分子名称: 3-dehydroquinate dehydratase I, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-18
公開日2022-07-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form)
To be published
8DU0
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BU of 8du0 by Molmil
Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
分子名称: GDP-L-fucose synthase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-26
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
to be published
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab S2X259 Fab variable domain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-30
公開日2021-08-04
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-01
公開日2021-08-04
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
8F8U
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BU of 8f8u by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
分子名称: Bifunctional ligase/repressor BirA, IMIDAZOLE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-11-22
公開日2022-11-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
To be published
8FI4
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BU of 8fi4 by Molmil
Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 1)
分子名称: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-12-15
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 1)
To be published

238582

件を2025-07-09に公開中

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