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5IJB
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BU of 5ijb by Molmil
The ligand-free structure of the mouse TLR4/MD-2 complex
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, Lymphocyte antigen 96, ...
著者Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
登録日2016-03-01
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
4I6T
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BU of 4i6t by Molmil
Crystal Structure of a T36A mutant of the Restriction-Modification Controller Protein C.Esp1396I
分子名称: MALONATE ION, Regulatory protein
著者Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
登録日2012-11-30
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
5WE1
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BU of 5we1 by Molmil
Structural Basis for Shelterin Bridge Assembly
分子名称: Protection of telomeres protein poz1,Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ZINC ION
著者Kim, J.-K, Liu, J, Hu, X, Yu, C, Roskamp, K, Sankaran, B, Huang, L, Komives, E.-A, Qiao, F.
登録日2017-07-06
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
2J9J
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BU of 2j9j by Molmil
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor JG-365
分子名称: ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ...
著者Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J.
登録日2006-11-11
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors.
J.Mol.Biol., 373, 2007
2IZR
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BU of 2izr by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
分子名称: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ...
著者Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-07-26
公開日2006-08-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor Binding by Casein Kinases
To be Published
8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
2C8F
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BU of 2c8f by Molmil
Structure of the ARTT motif E214N mutant C3bot1 Exoenzyme (NAD-bound state, crystal form III)
分子名称: MONO-ADP-RIBOSYLTRANSFERASE C3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Stura, E.A, Menetrey, J, Flatau, G, Boquet, P, Menez, A.
登録日2005-12-03
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for the Nad-Hydrolysis Mechanism and the Artt-Loop Plasticity of C3 Exoenzymes.
Protein Sci., 17, 2008
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6ARM
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BU of 6arm by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG)
分子名称: 2-nitrophenyl beta-D-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION
著者Kalas, V, Hultgren, S.J.
登録日2017-08-22
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 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
1S6H
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BU of 1s6h by Molmil
PORCINE TRYPSIN COMPLEXED WITH GUANIDINE-3-PROPANOL INHIBITOR
分子名称: 4-(HYDROXYMETHYL)BENZAMIDINE, CALCIUM ION, MAGNESIUM ION, ...
著者Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E.
登録日2004-01-23
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
6ARB
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BU of 6arb by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A
分子名称: COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-22
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AE5
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BU of 8ae5 by Molmil
Crystal structure of human legumain in complex with macrocypin 1a
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, Legumain, ...
著者Elamin, T, Brandstetter, H, Dall, E.
登録日2022-07-12
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
3LOG
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BU of 3log by Molmil
Crystal structure of MbtI from Mycobacterium tuberculosis
分子名称: CARBONATE ION, GLYCEROL, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ...
著者Bulloch, E.M.M, Lott, J.S, Baker, E.N, Johnston, J.M.
登録日2010-02-03
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Inhibition studies of Mycobacterium tuberculosis salicylate synthase (MbtI).
Chemmedchem, 5, 2010
6ARN
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BU of 6arn by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG)
分子名称: 2-methoxyphenyl beta-D-galactopyranoside, Putative Fml fimbrial adhesin FmlD, SULFATE ION
著者Kalas, V, Hultgren, S.J.
登録日2017-08-22
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 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
7KLX
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BU of 7klx by Molmil
Protein Tyrosine Phosphatase 1B with inhibitor
分子名称: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
登録日2020-11-01
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
2Y3G
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BU of 2y3g by Molmil
Se-Met form of Cupriavidus metallidurans CH34 CnrXs
分子名称: CHLORIDE ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ...
著者Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J.
登録日2010-12-20
公開日2011-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
3CP6
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BU of 3cp6 by Molmil
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
分子名称: (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-03-31
公開日2008-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
1PE4
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BU of 1pe4 by Molmil
SOLUTION STRUCTURE OF TOXIN CN12 FROM CENTRUROIDES NOXIUS ALFA SCORPION TOXIN ACTING ON SODIUM CHANNELS. NMR STRUCTURE
分子名称: Neurotoxin Cn11
著者Del Rio-Portilla, F, Hernandez-Marin, E, Pimienta, G, Coronas, F.V, Zamudio, F.Z, Rodrguez de la Vega, R.C, Wanke, E, Possani, L.D.
登録日2003-05-21
公開日2004-05-25
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure of Cn12, a novel peptide from the Mexican scorpion Centruroides noxius with a typical beta-toxin sequence but with alpha-like physiological activity.
Eur.J.Biochem., 271, 2004
5LDA
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BU of 5lda by Molmil
Structure of deubiquitinating enzyme homolog (Pyrococcus furiosus JAMM1) in complex with ubiquitin-like SAMP2.
分子名称: GLYCEROL, JAMM1, SAMP2, ...
著者Cao, S, Engilberge, S, Girard, E, Gabel, F, Franzetti, B, Maupin-Furlow, J.A.
登録日2016-06-24
公開日2017-06-21
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into Ubiquitin-Like Protein Recognition and Oligomeric States of JAMM/MPN(+) Proteases.
Structure, 25, 2017
2J4K
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BU of 2j4k by Molmil
Crystal structure of uridylate kinase from Sulfolobus solfataricus in complex with UMP to 2.2 Angstrom resolution
分子名称: CADMIUM ION, MAGNESIUM ION, URIDINE-5'-MONOPHOSPHATE, ...
著者Jensen, K.S, Johansson, E, Jensen, K.F.
登録日2006-09-01
公開日2007-02-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Enzymatic Investigation of the Sulfolobus Solfataricus Uridylate Kinase Shows Competitive Utp Inhibition and the Lack of GTP Stimulation
Biochemistry, 46, 2007
2IFU
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BU of 2ifu by Molmil
Crystal Structure of a Gamma-SNAP from Danio rerio
分子名称: SULFATE ION, gamma-snap
著者Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-09-21
公開日2006-10-10
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and dynamics of gamma-SNAP: insight into flexibility of proteins from the SNAP family.
Proteins, 70, 2008
5TLU
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BU of 5tlu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine
分子名称: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TBW
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BU of 5tbw by Molmil
Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D.
登録日2016-09-13
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides.
Nat Chem, 9, 2017
5LKD
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BU of 5lkd by Molmil
Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae in complex with glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase omega-like 2
著者Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F.
登録日2016-07-22
公開日2016-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016

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