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4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
6WDX
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BU of 6wdx by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Hydroxyethylindole Phenylhydroxamate Inhibitor
分子名称: N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6WFM
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BU of 6wfm by Molmil
Crystal structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (murA) from Stenotrophomonas maltophilia K279a
分子名称: UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-04-03
公開日2020-04-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (murA) from Stenotrophomonas maltophilia K279a
to be published
3HMW
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BU of 3hmw by Molmil
Crystal structure of ustekinumab FAB
分子名称: CADMIUM ION, USTEKINUMAB FAB HEAVY CHAIN, USTEKINUMAB FAB LIGHT CHAIN
著者Luo, J.
登録日2009-05-29
公開日2010-06-09
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the dual recognition of IL-12 and IL-23 by ustekinumab.
J.Mol.Biol., 402, 2010
6Q0F
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BU of 6q0f by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine
分子名称: CHLORIDE ION, Putative methyl-accepting chemotaxis protein, SODIUM ION, ...
著者Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
登録日2019-08-01
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
4MUW
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BU of 4muw by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-23
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
6Q30
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BU of 6q30 by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
分子名称: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6RJH
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BU of 6rjh by Molmil
3D structure of horse spleen apoferritin determined using multifunctional graphene supports for electron cryomicroscopy
分子名称: Ferritin light chain
著者Naydenova, K, Peet, M.J, Russo, C.J.
登録日2019-04-26
公開日2019-06-05
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Multifunctional graphene supports for electron cryomicroscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
6W3O
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BU of 6w3o by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine
分子名称: 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6VUR
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BU of 6vur by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366
分子名称: 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
3JTN
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BU of 3jtn by Molmil
Crystal Structure of the c-terminal domain of YpbH
分子名称: Adapter protein mecA 2, IODIDE ION
著者Wang, F, Mei, Z, Qi, Y, Yan, C, Wang, J, Shi, Y.
登録日2009-09-14
公開日2009-09-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of the MecA degradation tag
To be Published
6Q6K
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BU of 6q6k by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569)
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, 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide, ...
著者Rowland, R.J, Davies, G.J.
登録日2018-12-11
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
6Q7J
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BU of 6q7j by Molmil
GH3 exo-beta-xylosidase (XlnD) in complex with xylobiose aziridine activity based probe
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E.
登録日2018-12-13
公開日2019-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
6TEQ
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BU of 6teq by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ...
著者Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
登録日2019-11-12
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
4GTN
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BU of 4gtn by Molmil
Structure of anthranilate phosphoribosyl transferase from acinetobacter baylyi
分子名称: Anthranilate phosphoribosyltransferase
著者Ponniah, K, Nigon, L.V, Anderson, B.F, Norris, G.E, Patrick, W.M.
登録日2012-08-28
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Structure of anthranilate phosphoribosyl transferase from acinetobacter baylyi
To be Published
6TSK
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BU of 6tsk by Molmil
Beta-galactosidase in complex with L-ribose
分子名称: Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-20
公開日2020-01-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TGF
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BU of 6tgf by Molmil
Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold
分子名称: 1,2-ETHANEDIOL, Exopolysaccharide biosynthesis protein, TETRAETHYLENE GLYCOL
著者Irmscher, T, Roske, Y, Gayk, I, Heinemann, U, Barbirz, S.
登録日2019-11-15
公開日2020-11-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold.
J.Biol.Chem., 296, 2021
6TI4
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BU of 6ti4 by Molmil
SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/D-Serine/Lys230 gem diamine complex
分子名称: (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, GLYCEROL, MAGNESIUM ION, ...
著者Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I.
登録日2019-11-21
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure of Y55S Serine Hydroxymethyltransferase variant from Streptococcus thermophilus in complex with gem-diamine intermediate of D-serine
To Be Published
6VUW
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BU of 6vuw by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368
分子名称: (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, GLYCEROL, N-acetyltransferase Eis, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6W3S
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BU of 6w3s by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine
分子名称: GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6T7F
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BU of 6t7f by Molmil
RCR E3 ligase E2-Ubiquitin transthiolation intermediate
分子名称: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ...
著者Mabbitt, P.D, Virdee, S.
登録日2019-10-21
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
4AQ5
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BU of 4aq5 by Molmil
Gating movement in acetylcholine receptor analysed by time-resolved electron cryo-microscopy (closed class)
分子名称: ACETYLCHOLINE RECEPTOR BETA SUBUNIT, ACETYLCHOLINE RECEPTOR DELTA SUBUNIT, ACETYLCHOLINE RECEPTOR GAMMA SUBUNIT, ...
著者Unwin, N, Fujiyoshi, Y.
登録日2012-04-12
公開日2012-08-01
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Gating Movement of Acetylcholine Receptor Caught by Plunge-Freezing.
J.Mol.Biol., 422, 2012
6UKK
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BU of 6ukk by Molmil
Crystal Structure of a Domain-swapped Fluorogen Activating Protein DiB3 Dimer
分子名称: Outer membrane lipoprotein Blc, SODIUM ION
著者Bozhanova, N.G, Meiler, J.
登録日2019-10-05
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DiB-splits: nature-guided design of a novel fluorescent labeling split system.
Sci Rep, 10, 2020
6PZJ
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BU of 6pzj by Molmil
Structure of the N-terminal domain (residues 43-304) of Methyl-accepting chemotaxis protein from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Copenhageni (strain Fiocruz L1-130)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Methyl-accepting chemotaxis protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-07-31
公開日2019-08-14
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural analysis of CACHE domain of the McpA chemoreceptor from Leptospira interrogans.
Biochem.Biophys.Res.Commun., 533, 2020
6UM2
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BU of 6um2 by Molmil
Structure of M-6-P/IGFII Receptor and IGFII complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, Insulin-like growth factor II
著者Wang, R, Qi, X, Li, X.
登録日2019-10-08
公開日2020-02-26
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments
Sci Adv, 6, 2020

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