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2ZHD
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BU of 2zhd by Molmil
Exploring trypsin S3 pocket
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-02-04
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZQ1
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BU of 2zq1 by Molmil
Exploring trypsin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-08-03
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZC9
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BU of 2zc9 by Molmil
Thrombin in complex with Inhibitor
分子名称: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2007-11-06
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
2ZGB
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BU of 2zgb by Molmil
Thrombin Inhibition
分子名称: D-leucyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-01-21
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
2ZHQ
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BU of 2zhq by Molmil
Thrombin Inhibition
分子名称: Hirudin variant-1, N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-02-08
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
2ZI2
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BU of 2zi2 by Molmil
Thrombin Inhibition
分子名称: 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, BENZAMIDINE, Hirudin variant-1, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-02-13
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
2ZDL
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BU of 2zdl by Molmil
Exploring trypsin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Baum, B, Brandt, T, Heine, A, Klebe, G.
登録日2007-11-26
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZG0
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BU of 2zg0 by Molmil
Exploring thrombin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-01-16
公開日2009-01-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
分子名称: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-15
公開日2014-03-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
7CCB
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BU of 7ccb by Molmil
Crystal structure of the SPRY domain-containing protein 7 (SPRY7)
分子名称: SPRY domain-containing protein 7
著者Yang, J, Kuang, Z.
登録日2020-06-16
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the SPRY domain-containing protein 7 reveals unique structural features.
Biochem.Biophys.Res.Commun., 531, 2020
7D55
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BU of 7d55 by Molmil
Crystal structure of lys170 CBD
分子名称: Putative N-acetylmuramoyl-L-alanine amidase
著者Zhen, X.
登録日2020-09-25
公開日2021-06-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Structural and biochemical analyses of the tetrameric cell binding domain of Lys170 from enterococcal phage F170/08.
Eur.Biophys.J., 50, 2021
5IL1
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BU of 5il1 by Molmil
Crystal structure of SAM-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL0
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BU of 5il0 by Molmil
Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL2
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BU of 5il2 by Molmil
Crystal structure of SAH-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
7E4I
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BU of 7e4i by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom
分子名称: Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ...
著者Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
登録日2021-02-13
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
7E4H
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BU of 7e4h by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom
分子名称: Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ...
著者Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
登録日2021-02-13
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
7E8Z
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BU of 7e8z by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81
分子名称: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S.
登録日2021-03-03
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
1PVD
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BU of 1pvd by Molmil
CRYSTAL STRUCTURE OF THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE FROM THE YEAST SACCHAROMYCES CEREVISIAE AT 2.3 ANGSTROMS RESOLUTION
分子名称: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
著者Furey, W, Arjunan, P.
登録日1995-04-20
公開日1995-07-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from the yeast Saccharomyces cerevisiae at 2.3 A resolution.
J.Mol.Biol., 256, 1996
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
著者Yang, X.L, Ding, Z.Y, Huang, H.J.
登録日2022-01-26
公開日2022-10-26
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7X7E
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BU of 7x7e by Molmil
SARS-CoV-2 RBD and Nb22
分子名称: Nb22, Spike protein S1, TETRAETHYLENE GLYCOL
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022

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