3DHK
 
 | | Bisphenylic Thrombin Inhibitors | | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-06-18 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
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4QHO
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10 | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION | | Authors: | Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-05-28 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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3DT0
 | | Understanding Thrombin Inhibition | | Descriptor: | Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding Thrombin Inhibition
To be Published
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3DUX
 | | Understanding Thrombin Inhibition | | Descriptor: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-18 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
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3T8D
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3T87
 | | Thermolysin In Complex With UBTLN28 | | Descriptor: | (2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-08-01 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Thermolysin Inhibition
To be Published
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3SV2
 | | Human Thrombin In Complex With UBTHR105 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-07-12 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3T8H
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3T8C
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3SHC
 | | Human Thrombin In Complex With UBTHR101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-16 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-17 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3SHA
 | | Human Thrombin In Complex With UBTHR97 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-06-16 | | Release date: | 2012-06-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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2MDQ
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7E4I
 | | Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom | | Descriptor: | Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ... | | Authors: | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
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7E4H
 | | Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom | | Descriptor: | Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ... | | Authors: | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
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7E8Z
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81 | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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4JBA
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1ZGK
 | | 1.35 angstrom structure of the Kelch domain of Keap1 | | Descriptor: | Kelch-like ECH-associated protein 1 | | Authors: | Li, X, Bottoms, C.A, Hannink, M, Beamer, L.J. | | Deposit date: | 2005-04-21 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conserved solvent and side-chain interactions in the 1.35 Angstrom structure of the Kelch domain of Keap1.
Acta Crystallogr.,Sect.D, 61, 2005
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