3RMO
 
 | | Human Thrombin in complex with MI004 | | 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 | 2011-04-21 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 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
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3RM0
 | | Human Thrombin in complex with MI354 | | 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 | 2011-04-20 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.34 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
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3SHC
 | | Human Thrombin In Complex With UBTHR101 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-16 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 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
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3SI3
 | | 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 | 2023-12-06 | | 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
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3RMM
 | | Human Thrombin in complex with MI332 | | 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 | 2011-04-21 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 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
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3QTO
 | | Thrombin Inhibition by Pyridin Derivatives | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-02-23 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 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
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3UWJ
 | | 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
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4H57
 | | 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
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5IO6
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5IO7
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5IO5
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3FLF
 | | 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
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3FV4
 | | 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
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3FVP
 | | 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
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8AT6
 | | 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 | 2023-03-29 | | 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
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8ASW
 | | 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 | 2023-03-29 | | 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
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8AVG
 | | 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 | 2023-03-29 | | 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
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8ASV
 | | 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 | 2023-03-29 | | 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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4PCZ
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4PDI
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4PD2
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4PDG
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7SH0
 | | CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE | | 分子名称: | (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Li, L, Bouvier, M. | | 登録日 | 2021-10-07 | | 公開日 | 2022-07-20 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5LKF
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5LKE
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