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7RCM
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BU of 7rcm by Molmil
Crystal Structure of ADP-bound Galactokinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ...
著者Whitby, F.G.
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7S49
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BU of 7s49 by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
分子名称: (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one, Galactokinase, PHOSPHATE ION, ...
著者Whitby, F.G.
登録日2021-09-08
公開日2021-09-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
7S4C
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BU of 7s4c by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
分子名称: 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ...
著者Whitby, F.G.
登録日2021-09-08
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
4ZDK
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BU of 4zdk by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine
分子名称: 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ...
著者Bellinzoni, M, Barilone, N, Alzari, P.M.
登録日2015-04-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
6ZB5
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BU of 6zb5 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C3 symmetry
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
登録日2020-06-07
公開日2020-09-30
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
6ZB4
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BU of 6zb4 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C1 symmetry
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, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
登録日2020-06-06
公開日2020-09-30
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
分子名称: TNA-containing RNA oligonucleotide
著者Harp, J.M, Egli, M.
登録日2023-04-20
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
3J1A
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BU of 3j1a by Molmil
HK97-like fold fitted into 3D reconstruction of bacteriophage CW02
分子名称: capsid protein
著者Shen, P.S, Domek, M.J, Sanz-Garcia, E, Makaju, A, Taylor, R, Culumber, M, Breakwell, D.P, Prince, J.T, Belnap, D.M.
登録日2012-01-31
公開日2012-05-30
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (16 Å)
主引用文献Sequence and Structural Characterization of Great Salt Lake Bacteriophage CW02, a Member of the T7-Like Supergroup.
J.Virol., 86, 2012
8AEP
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BU of 8aep by Molmil
Reductase domain of the carboxylate reductase of Neurospora crassa
分子名称: Acetyl-CoA synthetase-like protein, CHLORIDE ION, SULFATE ION
著者Daniel, B, Schrufer, A, Marlene, L, Sagmeister, T, Pavkov-Keller, T.
登録日2022-07-13
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Reductase Domain of a Fungal Carboxylic Acid Reductase and Its Substrate Scope in Thioester and Aldehyde Reduction.
Acs Catalysis, 12, 2022
2OKW
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BU of 2okw by Molmil
A non-invasive GFP-based biosensor for mercury ions
分子名称: Green fluorescent protein
著者Chapleau, R.R, Blomberg, R, Ford, P.C, Sagermann, M.
登録日2007-01-17
公開日2007-12-04
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 a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake.
Protein Sci., 17, 2008
1MLU
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BU of 1mlu by Molmil
NITRIC OXIDE RECOMBINATION TO DOUBLE MUTANTS OF MYOGLOBIN: THE ROLE OF LIGAND DIFFUSION IN A FLUCTUATING HEME POCKET
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Quillin, M.L, Phillips Jr, G.N.
登録日1994-06-15
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitric oxide recombination to double mutants of myoglobin: role of ligand diffusion in a fluctuating heme pocket.
Biochemistry, 33, 1994
4D9Q
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BU of 4d9q by Molmil
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
分子名称: Anti-Factor D, heavy chain, light chain, ...
著者Murray, J.M, Wiesmann, C.
登録日2012-01-11
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012
2MT7
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BU of 2mt7 by Molmil
Solution structure of spider-venom peptide Hs1a
分子名称: Hs1a
著者Klint, J.K, King, G.F, Mobli, M.
登録日2014-08-14
公開日2015-08-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity
To be Published
3TSD
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BU of 3tsd by Molmil
Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP
分子名称: D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ...
著者Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-13
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
3TSB
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BU of 3tsb by Molmil
Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames
分子名称: Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION
著者Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-12
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
5K11
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BU of 5k11 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5K10
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BU of 5k10 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1)
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
6U6U
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BU of 6u6u by Molmil
IL36R extracellular domain in complex with BI655130 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, BI00655130 Fab heavy chain, ...
著者Larson, E.T, Farrow, N.A.
登録日2019-08-30
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains.
Protein Sci., 29, 2020
5K12
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BU of 5k12 by Molmil
Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
6JYG
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BU of 6jyg by Molmil
Crystal Structure of L-threonine dehydrogenase from Phytophthora infestans
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CITRATE ANION, L-threonine 3-dehydrogenase, ...
著者Yoneda, K, Sakuraba, H, Ohshima, T.
登録日2019-04-26
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Catalytic properties and crystal structure of UDP-galactose 4-epimerase-like l-threonine 3-dehydrogenase from Phytophthora infestans.
Enzyme.Microb.Technol., 140, 2020
7UAD
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BU of 7uad by Molmil
Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484
分子名称: 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2
著者Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M.
登録日2022-03-12
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.044 Å)
主引用文献The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
5WDR
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BU of 5wdr by Molmil
Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ...
著者Kondo, Y, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
6AOW
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BU of 6aow by Molmil
Crystal structure of lectin domain of F9 pilus adhesin FmlH from E. coli UTI89
分子名称: F9 pilus adhesin FmlH, SULFATE ION
著者Kalas, V, Hultgren, S.J.
登録日2017-08-16
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018

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