1JJ8
| Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*AP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*(5IT)P*TP*TP*TP*TP*GP*AP*TP*AP*AP*GP*A)-3', DNA-INVERTASE HIN | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-03 | Release date: | 2002-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1JKP
| Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*CP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*GP*AP*AP*GP*A)-3', DNA-INVERTASE HIN | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-13 | Release date: | 2002-02-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1JKQ
| Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*AP*TP*AP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3', DNA-INVERTASE HIN | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-13 | Release date: | 2002-02-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1JJ6
| Testing the Water-Mediated Hin Recombinase DNA Recognition by Systematic Mutations. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*CP*TP*TP*AP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*(5IT)P*TP*TP*TP*GP*AP*TP*AP*AP*GP*A)-3', ... | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-03 | Release date: | 2002-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1IJW
| Testing the Water-Mediated Hin Recombinase DNA Recognition by Systematic Mutations. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*(CBR)P*TP*TP*AP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*GP*A)-3', ... | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-04-30 | Release date: | 2002-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1JKO
| Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*CP*TP*TP*AP*CP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*GP*TP*AP*AP*GP*A)-3', ... | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-12 | Release date: | 2002-02-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1JKR
| Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*CP*TP*TP*GP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*CP*AP*AP*GP*A)-3', ... | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | Deposit date: | 2001-07-13 | Release date: | 2002-02-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Testing water-mediated DNA recognition by the Hin recombinase. EMBO J., 21, 2002
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1QL9
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5MNG
| Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNZ
| Neutron structure of cationic trypsin in its apo form | Descriptor: | CALCIUM ION, Cationic trypsin | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.45 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MOS
| Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNH
| Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNO
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MOQ
| Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MOP
| Joint X-ray/neutron structure of cationic trypsin in its apo form | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNF
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5MNE
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5MNN
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.859 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MO2
| Neutron structure of cationic trypsin in complex with N-amidinopiperidine | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.5 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNQ
| Cationic trypsin in complex with a derivative of N-amidinopiperidine | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.337 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MO0
| Neutron structure of cationic trypsin in complex with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.502 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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1V2V
| Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2T
| Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2K
| Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2Q
| Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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