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PDB: 43 件
3SI3
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BU of 3si3 by Molmil
Human Thrombin In Complex With UBTHR103
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-06-17
公開日2012-06-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3UWJ
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BU of 3uwj by Molmil
Human Thrombin In Complex With MI353
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-12-02
公開日2012-12-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3T8C
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BU of 3t8c by Molmil
Thermolysin In Complex With UBTLN30
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Thermolysin Inhibition
To be Published
3T5F
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BU of 3t5f by Molmil
Human Thrombin In Complex With MI340
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-07-27
公開日2012-08-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3T8G
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BU of 3t8g by Molmil
Thermolysin In Complex With UBTLN26
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Chemmedchem, 7, 2012
3U98
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BU of 3u98 by Molmil
Human Thrombin In Complex With MI001
分子名称: (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-10-18
公開日2012-10-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thrombin Inhibition
To be Published
3T8D
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BU of 3t8d by Molmil
Thermolysin In Complex With UBTLN31
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Thermolysin Inhibition
To be Published
4H57
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BU of 4h57 by Molmil
Thermolysin inhibition
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2012-09-18
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Angew.Chem.Int.Ed.Engl., 52, 2013
3FLF
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BU of 3flf by Molmil
Thermolysin inhibition
分子名称: CALCIUM ION, GLYCEROL, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2008-12-18
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
3FV4
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Thermolysin inhibition
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2009-01-15
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
3FVP
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BU of 3fvp by Molmil
Thermolysin inhibition
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Englert, L, Biela, A, Heine, A, Klebe, G.
登録日2009-01-16
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Thermolysin inhibition
To be Published
5IO7
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BU of 5io7 by Molmil
Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa)
分子名称: Beta-lactoglobulin, CHLORIDE ION, DODECANE
著者Kurpiewska, K, Biela, A.
登録日2016-03-08
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
5IO6
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BU of 5io6 by Molmil
Bovine beta-lactoglobulin complex with dodecane, ambient pressure
分子名称: DODECANE, Major allergen beta-lactoglobulin
著者Kurpiewska, K, Biela, A.
登録日2016-03-08
公開日2016-03-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
5IO5
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BU of 5io5 by Molmil
Unliganded form of bovine beta-lactoglobulin, ambient pressure
分子名称: Beta-lactoglobulin, CHLORIDE ION
著者Kurpiewska, K, Biela, A.
登録日2016-03-08
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
8AT6
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BU of 8at6 by Molmil
Cryo-EM structure of yeast Elp456 subcomplex
分子名称: Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6
著者Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
登録日2022-08-22
公開日2022-12-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
8ASW
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BU of 8asw by Molmil
Cryo-EM structure of yeast Elp123 in complex with alanine tRNA
分子名称: 5'-DEOXYADENOSINE, Alanine tRNA, Elongator complex protein 1, ...
著者Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
登録日2022-08-21
公開日2022-12-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
8AVG
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BU of 8avg by Molmil
Cryo-EM structure of mouse Elp123 with bound SAM
分子名称: Elongator complex protein 1, Elongator complex protein 2, Elongator complex protein 3, ...
著者Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
登録日2022-08-26
公開日2022-12-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
8ASV
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BU of 8asv by Molmil
Cryo-EM structure of yeast Elongator complex
分子名称: Elongator complex protein 1, Elongator complex protein 2, Elongator complex protein 3, ...
著者Jaciuk, M, Scherf, D, Kaszuba, K, Gaik, M, Koscielniak, A, Krutyholowa, R, Rawski, M, Indyka, P, Biela, A, Dobosz, D, Lin, T.-Y, Abbassi, N, Hammermeister, A, Chramiec-Glabik, A, Kosinski, J, Schaffrath, R, Glatt, S.
登録日2022-08-21
公開日2022-12-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.35 Å)
主引用文献Cryo-EM structure of the fully assembled Elongator complex.
Nucleic Acids Res., 51, 2023
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