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PDB: 775 件

4FJZ
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Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
分子名称: 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4FJY
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Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f
分子名称: 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
分子名称: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-14
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
4FHJ
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Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2
分子名称: 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Shaffer, P.L, Tang, J, Yakowec, P.
登録日2012-06-06
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4FHK
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Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e
分子名称: 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Shaffer, P.L, Tang, J, Yakowec, P.
登録日2012-06-06
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3UTF
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BU of 3utf by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase
著者Dhatwalia, R, Singh, H, Tanner, J.J.
登録日2011-11-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTG
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Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
著者Dhatwalia, R, Singh, H, Tanner, J.J.
登録日2011-11-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
5D9G
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Crystal structure of TIPRL, TOR signaling pathway regulator-like, in complex with peptide
分子名称: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
著者Scorsato, V, Sandy, J, Brandao-Neto, J, Pereira, H.M, Smetana, J.H.C, Aparicio, R.
登録日2015-08-18
公開日2016-08-10
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the human Tip41 orthologue, TIPRL, reveals a novel fold and a binding site for the PP2Ac C-terminus.
Sci Rep, 6, 2016
9FSE
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BU of 9fse by Molmil
Human ROR2 cysteine-rich domain (CRD) and Kringle domain
分子名称: SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2
著者Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H.
登録日2024-06-20
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling.
Elife, 13, 2024
6D96
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Structure of influenza neuraminidase from strain A/BrevigMission/1/1918(H1N1) expressed in HEK-293E cells
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Campbell, A.C, Krause, K.L, Tanner, J.J.
登録日2018-04-27
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Optimisation of neuraminidase expression by HEK-293E cells for use in structural biology
To Be Published
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
8RHS
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BU of 8rhs by Molmil
Structure of the ZnF domain from human Roquin-1
分子名称: Roquin-1
著者Schlundt, A, Tants, J.N.
登録日2023-12-16
公開日2024-07-03
実験手法SOLUTION NMR
主引用文献Structure and RNA binding of the Roquin CCCH-type zinc finger
To Be Published
5D1V
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BU of 5d1v by Molmil
Crystal Structure and Thermal Stability of Hemoglobin from Thermophilic Phototrophic Bacterium Chloroflexus aurantiacus
分子名称: Globin, PROTOPORPHYRIN IX CONTAINING FE
著者Fromme, R, Holl, M, Tang, J.K.
登録日2015-08-04
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure and Thermal Stability of Hemoglobin from Thermophilic Phototrophic Bacterium Chloroflexus aurantiacus
To Be Published
7P4A
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BU of 7p4a by Molmil
Non-canonical Staphylococcus aureus pathogenicity island repression.
分子名称: Sri, Stl
著者Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R.
登録日2021-07-10
公開日2022-07-27
最終更新日2022-11-16
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Non-canonical Staphylococcus aureus pathogenicity island repression.
Nucleic Acids Res., 50, 2022
3J6U
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BU of 3j6u by Molmil
Cryo-EM structure of Dengue virus serotype 3 in complex with human antibody 5J7 Fab
分子名称: Fab 5J7 heavy chain, Fab 5J7 light chain, envelope protein, ...
著者Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M.
登録日2014-03-26
公開日2015-03-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
3J6T
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BU of 3j6t by Molmil
Cryo-EM structure of Dengue virus serotype 3 at 37 degrees C
分子名称: envelope protein, membrane protein
著者Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M.
登録日2014-03-25
公開日2015-03-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
3J6S
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BU of 3j6s by Molmil
Cryo-EM structure of Dengue virus serotype 3 at 28 degrees C
分子名称: envelope protein, membrane protein
著者Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M.
登録日2014-03-24
公開日2015-03-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
6QNG
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BU of 6qng by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
To Be Published
7QUI
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BU of 7qui by Molmil
Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue
分子名称: (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8
著者Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-01-18
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
7QU6
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Crystal structure of the N-terminal domain of Siglec-8
分子名称: Sialic acid-binding Ig-like lectin 8
著者Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-01-17
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
2G82
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High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ISOPROPYL ALCOHOL, ...
著者Jenkins, J.L, Buencamino, R, Tanner, J.J.
登録日2006-03-01
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High Resolution Structures of Thermus aquaticus Glyceraldehyde-3-Phosphate Dehydrogenase: Role of 220's Loop Motion in Catalysis
To be Published
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
分子名称: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
2G94
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Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
分子名称: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
著者Hong, L, Ghosh, A, Tang, J.
登録日2006-03-05
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
6K62
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Crystal structure of Xanthomonas PcrK
分子名称: Histidine kinase
著者Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P.
登録日2019-05-31
公開日2019-09-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4.
J.Struct.Biol., 208, 2019

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