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PDB: 1595 件

6MU3
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BU of 6mu3 by Molmil
Anti-HIV-1 Fab 2G12 + Man7 re-refinement
分子名称: Fab 2G12, heavy chain, light chain, ...
著者Wilson, I.A, Calarese, D.A, Stanfield, R.L.
登録日2018-10-22
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.327 Å)
主引用文献Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
6Q5N
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BU of 6q5n by Molmil
Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24Nle
分子名称: 1,4-DIETHYLENE DIOXIDE, CC-Hex*-L24Nle, GLYCEROL
著者Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
4W88
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BU of 4w88 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with a xyloglucan oligosaccharide and TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
7KLM
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Human Arginase1 Complexed with Inhibitor Compound 24a
分子名称: 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
7KLL
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BU of 7kll by Molmil
Human Arginase1 Complexed with Inhibitor Compound 18
分子名称: 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
7KLK
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BU of 7klk by Molmil
Human Arginase1 Complexed with Inhibitor Compound 3a
分子名称: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ...
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
4W86
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BU of 4w86 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose and TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
6N32
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BU of 6n32 by Molmil
Anti-HIV-1 Fab 2G12 re-refinement
分子名称: Fab 2G12 heavy chain, Fab 2G12 light chain, SULFATE ION
著者Calarese, D.A, Stanfield, R.L, Wilson, I.A.
登録日2018-11-14
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
4W8B
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BU of 4w8b by Molmil
Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG
分子名称: Exo-xyloglucanase, GLYCEROL, SULFATE ION, ...
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
5L03
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BU of 5l03 by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION
著者Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-26
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate
To Be Published
6Q31
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BU of 6q31 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-03
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q34
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BU of 6q34 by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 196 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-03
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q5R
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BU of 6q5r by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL-KgEb
分子名称: CC-Hex*-LL-KgEb, GLYCEROL
著者Beesley, J.L, Rhys, G.G, Wood, C.W, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6Q5H
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BU of 6q5h by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24D
分子名称: AMMONIUM ION, CC-Hex*-L24D, SULFATE ION
著者Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6Q5K
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BU of 6q5k by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24K
分子名称: AMMONIUM ION, CC-Hex*-L24K, GLYCEROL, ...
著者Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6Q5Q
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BU of 6q5q by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex-KgEb
分子名称: CC-Hex-KgEb, L(+)-TARTARIC ACID
著者Zaccai, N.R, Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
5KZA
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BU of 5kza by Molmil
Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I41
分子名称: 1,2-ETHANEDIOL, NITRATE ION, virus matrix protein
著者Kingston, R.L, Chan, J, Vogt, V.M.
登録日2016-07-24
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
7KUU
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BU of 7kuu by Molmil
LsfA from P. aeruginosa, a 1-Cys Prx in Sulfonic acid form
分子名称: Alkyl hydroperoxide reductase C
著者AIeixo-Silva, R.L, Domingos, R.M, Netto, L.E.S.
登録日2020-11-25
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of LsfA, a 1-Cys Prx in sulfonic acid form
To Be Published
6TOG
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BU of 6tog by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 5
分子名称: 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOM
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BU of 6tom by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 1
分子名称: 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6Q1M
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BU of 6q1m by Molmil
Crystal structure of the wheat dwarf virus Rep domain
分子名称: GLYCEROL, Replication-associated protein
著者Litzau, L.A, Everett, B.A, Evans III, R.L, Shi, K, Tompkins, K, Gordon, W.R.
登録日2019-08-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of the Wheat dwarf virus Rep domain.
Acta Crystallogr.,Sect.F, 75, 2019
6Q3D
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BU of 6q3d by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 235.2 kGy structure
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
登録日2018-12-04
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
6Q5J
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BU of 6q5j by Molmil
Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24E
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Hex*-L24E
著者Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6Q5M
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BU of 6q5m by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24Dab
分子名称: CC-Hex*-L24Dab, SODIUM ION
著者Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6TOH
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BU of 6toh by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 6
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020

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