5WJL
 
 | | Crystal Structure of HLA-A*11:01 with GTS1 peptide | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ... | | Authors: | Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-23 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
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5WJN
 | | Crystal Structure of HLA-A*11:01-GTS3 | | Descriptor: | Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-23 | | Release date: | 2017-09-20 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
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5MR3
 | | Crystal structure of red abalone egg VERL repeat 2 with linker in complex with sperm lysin at 1.8 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Egg-lysin, ... | | Authors: | Nishimura, K, Raj, I, Sadat Al-Hosseini, H, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-12-21 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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5II7
 | | In-house sulfur-SAD structure of orthorhombic red abalone lysin at 1.66 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION | | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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5IIA
 | | Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor | | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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5II9
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5II8
 | | Orthorhombic crystal structure of red abalone lysin at 0.99 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION | | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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5IIB
 | | Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.64 A resolution (crystal form II) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Egg-lysin, ... | | Authors: | Raj, I, Sadat Al-Hosseini, H, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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6SD9
 | | Crystal structure of wild-type cMET bound by foretinib | | Descriptor: | CHLORIDE ION, Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDC
 | | Crystal structure of D1228V cMET bound by foretinib | | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDD
 | | Crystal structure of D1228V cMET bound by BMS-777607 | | Descriptor: | GLYCEROL, Hepatocyte growth factor receptor, N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide | | Authors: | Collie, G.W, Phillips, C. | | Deposit date: | 2019-07-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6SDE
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2DMR
 | | DITHIONITE REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM(IV) ION, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-24 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution
J.Biol.Inorg.Chem., 2, 1997
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1DMR
 | | OXIDIZED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM(VI) ION, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-22 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution
J.Biol.Inorg.Chem., 2, 1997
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3DMR
 | | STRUCTURE OF DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS AT PH 7.0 | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM(VI) ION, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-25 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution
J.Biol.Inorg.Chem., 2, 1997
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1EAU
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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4DMR
 | | REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, DMSO REDUCTASE, ... | | Authors: | Mcalpine, A.S, Bailey, S. | | Deposit date: | 1997-04-30 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The high resolution crystal structure of DMSO reductase in complex with DMSO.
J.Mol.Biol., 275, 1998
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8QPH
 | | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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8QQC
 | | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-04 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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4C3S
 | | Structure of a propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | | Descriptor: | ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Marles-Wright, J, Crawshaw, A, Ang, T.F, Altenbach, K. | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Insight Into Coenzyme a Cofactor Binding and the Mechanism of Acyl-Transfer in an Acylating Aldehyde Dehydrogenase from Clostridium Phytofermentans.
Sci.Rep., 6, 2016
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4WY6
 | | Crystal structure of human BACE-1 bound to Compound 36 | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Vajdos, F.F. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
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4X2L
 | | Crystal structure of human BACE-1 bound to Compound 6 | | Descriptor: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Vajdos, F.F, Parris, K. | | Deposit date: | 2014-11-26 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
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4WY1
 | | Crystal structure of human BACE-1 bound to Compound 24B | | Descriptor: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1 | | Authors: | Vajdos, F.F, Parris, K. | | Deposit date: | 2014-11-14 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
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