Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5WBQ
DownloadVisualize
BU of 5wbq by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5HZD
DownloadVisualize
BU of 5hzd by Molmil
RNA Editing TUTase 1 from Trypanosoma brucei
分子名称: 3' terminal uridylyl transferase, CHLORIDE ION, SULFATE ION, ...
著者Thore, S, Rajappa, L.T.
登録日2016-02-02
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
1WZ5
DownloadVisualize
BU of 1wz5 by Molmil
Solution structure of Pi1-3p
分子名称: Potassium channel blocking toxin 1
著者Ferrat, G.
登録日2005-02-24
公開日2005-04-19
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The impact of the fourth disulfide bridge in scorpion toxins of the alpha-KTx6 subfamily
Proteins, 61, 2005
5IDO
DownloadVisualize
BU of 5ido by Molmil
RNA Editing TUTase 1 from Trypanosoma brucei in complex with UTP
分子名称: 3' terminal uridylyl transferase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ...
著者Thore, S, Rajappa, L.T.
登録日2016-02-24
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
6B5X
DownloadVisualize
BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
DownloadVisualize
BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B69
DownloadVisualize
BU of 6b69 by Molmil
Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6D
DownloadVisualize
BU of 6b6d by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
5KAL
DownloadVisualize
BU of 5kal by Molmil
Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU
分子名称: MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ...
著者Stagno, J.R, Luecke, H, Afasizhev, R.
登録日2016-06-01
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Nucleic Acids Res., 44, 2016
6B5Y
DownloadVisualize
BU of 6b5y by Molmil
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
分子名称: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
著者Pandey, S, Schmidt, M.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6B
DownloadVisualize
BU of 6b6b by Molmil
Beta-Lactamase, unmixed needles crystal form
分子名称: Beta-lactamase
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
DownloadVisualize
BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
DownloadVisualize
BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
DownloadVisualize
BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
DownloadVisualize
BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
分子名称: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
5QY3
DownloadVisualize
BU of 5qy3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a
分子名称: 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY4
DownloadVisualize
BU of 5qy4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY6
DownloadVisualize
BU of 5qy6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a
分子名称: 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY5
DownloadVisualize
BU of 5qy5 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02a
分子名称: 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY1
DownloadVisualize
BU of 5qy1 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A07a
分子名称: (2-aminopyridin-3-yl)methanol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY7
DownloadVisualize
BU of 5qy7 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C08a
分子名称: (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY9
DownloadVisualize
BU of 5qy9 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C11b
分子名称: A1 cistron-splicing factor AAR2, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY8
DownloadVisualize
BU of 5qy8 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C10a
分子名称: 1,3-benzodioxole-5-carbothioamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QYC
DownloadVisualize
BU of 5qyc by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07a
分子名称: 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QYD
DownloadVisualize
BU of 5qyd by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry E05a
分子名称: 2-(2-methylphenyl)acetamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-02-12
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon