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4DQ9
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BU of 4dq9 by Molmil
Crystal structure of the minor pseudopilin EPSH from the type II secretion system of Vibrio cholerae
分子名称: CHLORIDE ION, General secretion pathway protein H, SODIUM ION
著者Raghunathan, K, Vago, F.S, Grindem, D, Ball, T, Wedemeyer, W.J, Arvidson, D.N.
登録日2012-02-15
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.59 angstrom resolution structure of the minor pseudopilin EpsH of Vibrio cholerae reveals a long flexible loop.
Biochim.Biophys.Acta, 1844, 2013
5I2L
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BU of 5i2l by Molmil
Structure of EF-hand containing protein
分子名称: CALCIUM ION, EF-hand domain-containing protein D2
著者Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H.
登録日2016-02-09
公開日2016-12-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016
5VIX
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BU of 5vix by Molmil
Crystal structure of Polyubiquitin with 3 ub domains, domains 1 and 2, from Naegleria fowleri ATCC 30863
分子名称: NITRATE ION, Polyubiquitin
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of polyubiquitin with 3 ub domains, domains 1 and 2, from Naegleria fowleri ATCC 30863
TO BE PUBLISHED
8VCO
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BU of 8vco by Molmil
Crystal structure of rMcL-1 in complex with N-acetyl-D-galactosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Hernandez-Santoyo, A, Loera-Rubalcava, J.
登録日2023-12-14
公開日2024-12-18
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
4DNF
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BU of 4dnf by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation adducted with the epibromohydrin hydrolysis intermediate
分子名称: (2S)-1-bromopropan-2-ol, Putative hydrolase
著者Bahl, C.D, Madden, D.R.
登録日2012-02-08
公開日2013-08-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
8VCS
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BU of 8vcs by Molmil
Crystal structure of the oligomeric rMcL-1 in complex with lactose
分子名称: CALCIUM ION, Galactose-binding lectin, beta-D-galactopyranose, ...
著者Hernandez-Santoyo, A, Loera-Rubalcava, J.
登録日2023-12-14
公開日2024-12-18
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
5IF7
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BU of 5if7 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-279 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
分子名称: DIMETHYL SULFOXIDE, N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Polymerase acidic protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-25
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
4M9D
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BU of 4m9d by Molmil
The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, ...
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-14
公開日2013-08-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
To be Published
7M49
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BU of 7m49 by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Reaction State Ternary Complex, 5 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
5VVE
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BU of 5vve by Molmil
Crystal structure of phosphoglycerate mutase from Naegleria fowleri
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-05-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of phosphoglycerate mutase from Naegleria fowleri
TO BE PUBLISHED
8VEZ
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BU of 8vez by Molmil
De novo design apixaban-binding protein: apx1049
分子名称: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, De novo design apixaban-binding protein: apx1049
著者Bera, A.K, Lee, G.R, Baker, D.
登録日2023-12-20
公開日2025-01-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Small-molecule binding and sensing with a designed protein family
To Be Published
5IIS
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BU of 5iis by Molmil
Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold
分子名称: 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1
著者Bellamacina, C, Bussiere, D, Burger, M.
登録日2016-03-01
公開日2016-04-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.
Bioorg.Med.Chem.Lett., 26, 2016
7M43
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BU of 7m43 by Molmil
DNA Polymerase Lambda, TTP:At Ca2+ Ground State Ternary Complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
2XVD
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BU of 2xvd by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2010-10-25
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
Bioorg.Med.Chem.Lett., 21, 2011
2BQW
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BU of 2bqw by Molmil
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
分子名称: 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-28
公開日2006-04-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
7M4K
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BU of 7m4k by Molmil
DNA Polymerase Lambda, TTPaS:At Ca2+ Ground State Ternary Complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
2XZZ
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BU of 2xzz by Molmil
Crystal structure of the human transglutaminase 1 beta-barrel domain
分子名称: PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE K
著者Vollmar, M, Krysztofinska, E, Krojer, T, Yue, W.W, Cooper, C, Kavanagh, K, Allerston, C, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-11-30
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Human Transglutaminase 1 Beta-Barrel Domain
To be Published
7M4L
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BU of 7m4l by Molmil
DNA Polymerase Lambda, TTPaS:At Mn2+ Product State Ternary Complex, 60 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(YQS))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
4DEH
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BU of 4deh by Molmil
Crystal structure of c-Met in complex with triazolopyridinone inhibitor 3
分子名称: 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Bellon, S.F, Long, A.M.
登録日2012-01-20
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2XIJ
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BU of 2xij by Molmil
Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, ...
著者Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Vollmar, M, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-06-30
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
7M6Q
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BU of 7m6q by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM Tetrahydrocannabinol State 1
分子名称: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Chakrapani, S.
登録日2021-03-26
公開日2022-08-03
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
5IQ6
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BU of 5iq6 by Molmil
Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor
分子名称: N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION
著者Tarantino, D, Mastrangelo, E, Milani, M.
登録日2016-03-10
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Antiviral Res., 134, 2016
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-16
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
4DI0
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BU of 4di0 by Molmil
The structure of Rubrerythrin from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-30
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of Rubrerythrin from Burkholderia pseudomallei
TO BE PUBLISHED
7LXR
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BU of 7lxr by Molmil
Kinesin-like protein at 61F (Klp61f) bound to AMPPNP
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Kinesin-like protein Klp61F, ...
著者Worthylake, D.K, Wojcik, E.J.
登録日2021-03-04
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献Crystal Structure of the Klp61f motor domain bound to AMPPNP
To Be Published

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件を2025-10-22に公開中

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