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3UCW
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BU of 3ucw by Molmil
Structure of MG2+ bound N-Terminal domain of Calmodulin
分子名称: Calmodulin, MAGNESIUM ION
著者Senguen, F.T, Grabarek, Z.
登録日2011-10-27
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights into the Mechanism and Specificity of Metal Ion Binding to an EF-Hand.
Biochemistry, 51, 2012
8YJ7
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BU of 8yj7 by Molmil
Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA
分子名称: Iron ABC transporter substrate-binding lipoprotein MtsA, ZINC ION, scFv13
著者Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K.
登録日2024-03-01
公開日2024-06-19
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA.
Protein Sci., 33, 2024
9B70
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BU of 9b70 by Molmil
Cryo-EM structure of MraY in complex with analogue 2
分子名称: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Hao, A, Lee, S.-Y.
登録日2024-03-26
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
5VN8
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BU of 5vn8 by Molmil
Cryo-EM model of B41 SOSIP.664 in complex with fragment antigen binding variable domain of b12
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, Envelope glycoprotein gp160, ...
著者Ozorowski, G, Pallesen, J, Ward, A.B, Cottrell, C.A.
登録日2017-04-28
公開日2017-07-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Open and closed structures reveal allostery and pliability in the HIV-1 envelope spike.
Nature, 547, 2017
3UCY
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BU of 3ucy by Molmil
Structure of Mg2+ bound N-terminal domain of calmodulin in the presence of Zn2+
分子名称: CACODYLATE ION, Calmodulin, MAGNESIUM ION, ...
著者Senguen, F.T, Grabarek, Z.
登録日2011-10-27
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights into the Mechanism and Specificity of Metal Ion Binding to an EF-Hand.
Biochemistry, 51, 2012
4FDH
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BU of 4fdh by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole
分子名称: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ...
著者Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
登録日2012-05-28
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
6DCH
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BU of 6dch by Molmil
Structure of isonitrile biosynthesis enzyme ScoE
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Born, D.A, Drennan, C.L.
登録日2018-05-07
公開日2018-06-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase.
Angew. Chem. Int. Ed. Engl., 57, 2018
3HCA
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BU of 3hca by Molmil
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
分子名称: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
8SFM
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BU of 8sfm by Molmil
Crystal structure of the engineered SsoPox variant IVB10 in alternate state
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-11
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SFB
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BU of 8sfb by Molmil
Crystal structure of the engineered SsoPox variant IVA4
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
4OLF
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BU of 4olf by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP
分子名称: 1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-01-23
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP
To be Published
3H9Z
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BU of 3h9z by Molmil
Crystal structure of the IgE-Fc3-4 domains
分子名称: AMMONIUM ION, Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wurzburg, B.A.
登録日2009-04-30
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms.
J.Mol.Biol., 393, 2009
8SF2
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BU of 8sf2 by Molmil
Crystal structure of the engineered SsoPox variant IG7
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
7L9E
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BU of 7l9e by Molmil
Crystal structure of apo-alpha glucosidase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2021-01-03
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
7QVK
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BU of 7qvk by Molmil
NM-02 in complex with HER2-ECD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ...
著者Cowan, R, Hall, G, Carr, M.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool.
Plos One, 18, 2023
4URA
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BU of 4ura by Molmil
Crystal structure of human JMJD2A in complex with compound 14a
分子名称: 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2014-06-27
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
8SFA
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BU of 8sfa by Molmil
Crystal structure of the engineered SsoPox variant IIIC1
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SF9
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BU of 8sf9 by Molmil
Crystal structure of the engineered SsoPox variant IG7 - Alternative state
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
3HA0
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BU of 3ha0 by Molmil
Crystal structure of the IgE-Fc3-4 domains
分子名称: Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wurzburg, B.A.
登録日2009-04-30
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms.
J.Mol.Biol., 393, 2009
3HC8
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BU of 3hc8 by Molmil
Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.
分子名称: 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ...
著者Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M.
登録日2009-05-05
公開日2009-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 19, 2009
8SFC
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BU of 8sfc by Molmil
Crystal structure of the engineered SsoPox variant IVA4 in alternate state
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-10
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
3HCB
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BU of 3hcb by Molmil
Crystal Structure of hPNMT in Complex With Noradrenochrome and AdoHcy
分子名称: (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L, Gee, C.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
8SFK
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BU of 8sfk by Molmil
Crystal structure of the engineered SsoPox variant IVE2
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
著者Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
登録日2023-04-11
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
1MQ2
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BU of 1mq2 by Molmil
Human DNA Polymerase Beta Complexed With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine and dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(2DA))-3', ...
著者Krahn, J.M, Beard, W.A, Miller, H, Grollman, A.P, Wilson, S.H.
登録日2002-09-13
公開日2003-01-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of DNA Polymerase beta with the Mutagenic DNA Lesion 8-oxodeoxyguanine Reveals Structural Insights into its Coding Potential
Structure, 11, 2003
3HCD
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BU of 3hcd by Molmil
Crystal Structure of hPNMT in Complex With Noradrenaline and AdoHcy
分子名称: L-NOREPINEPHRINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009

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