4V3A
| Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-17 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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8EBB
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8EB9
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4AB8
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABD
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABE
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4ABG
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABA
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABB
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4ABH
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4AB9
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABF
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3DA8
| Crystal structure of PurN from Mycobacterium tuberculosis | Descriptor: | BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-05-28 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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3DCJ
| Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-06-03 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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7T69
| Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici | Descriptor: | Avr3 (SIX1), Secreted in xylem 1, SULFATE ION | Authors: | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | Deposit date: | 2021-12-13 | Release date: | 2023-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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7T6A
| Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici | Descriptor: | Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ... | Authors: | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | Deposit date: | 2021-12-13 | Release date: | 2023-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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5UGG
| Protease Inhibitor | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | Deposit date: | 2017-01-08 | Release date: | 2017-05-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors. Blood Adv, 1, 2017
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5UGD
| Protease Inhibitor | Descriptor: | Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen | Authors: | Law, R.H.P, Wu, G, Whisstock, J.C. | Deposit date: | 2017-01-08 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors. Blood Adv, 1, 2017
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6O1W
| Structure of pCW3 conjugation coupling protein TcpA monomer orthorhombic crystal form | Descriptor: | DNA translocase coupling protein, beta-D-glucopyranose | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | Deposit date: | 2019-02-22 | Release date: | 2020-02-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of pCW3 conjugation coupling protein TcpA To be published
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6O1X
| Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS | Descriptor: | DNA translocase coupling protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, beta-D-glucopyranose | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | Deposit date: | 2019-02-22 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure of pCW3 conjugation coupling protein TcpA To be published
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6NMB
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6D40
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6D3Y
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4DWN
| Crystal Structure of Human BinCARD CARD | Descriptor: | Bcl10-interacting CARD protein, SULFATE ION | Authors: | Chen, K.-E, Kobe, B, Martin, J.L. | Deposit date: | 2012-02-26 | Release date: | 2013-02-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized. Acta Crystallogr.,Sect.D, 69, 2013
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6D3Z
| Protease SFTI complex | Descriptor: | Plasminogen, Trypsin inhibitor 1 | Authors: | Law, R.H.P, Wu, G. | Deposit date: | 2018-04-17 | Release date: | 2019-01-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
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