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5WJL
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BU of 5wjl by Molmil
Crystal Structure of HLA-A*11:01 with GTS1 peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-23
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5WJN
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BU of 5wjn by Molmil
Crystal Structure of HLA-A*11:01-GTS3
分子名称: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-23
公開日2017-09-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5MR3
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BU of 5mr3 by Molmil
Crystal structure of red abalone egg VERL repeat 2 with linker in complex with sperm lysin at 1.8 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Egg-lysin, ...
著者Nishimura, K, Raj, I, Sadat Al-Hosseini, H, De Sanctis, D, Jovine, L.
登録日2016-12-21
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5II7
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BU of 5ii7 by Molmil
In-house sulfur-SAD structure of orthorhombic red abalone lysin at 1.66 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5IIA
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BU of 5iia by Molmil
Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5II9
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BU of 5ii9 by Molmil
Monoclinic crystal structure of red abalone lysin at 2.11 A resolution
分子名称: Egg-lysin
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5II8
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BU of 5ii8 by Molmil
Orthorhombic crystal structure of red abalone lysin at 0.99 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Egg-lysin, SULFATE ION
著者Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
5IIB
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BU of 5iib by Molmil
Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.64 A resolution (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Egg-lysin, ...
著者Raj, I, Sadat Al-Hosseini, H, Nishimura, K, De Sanctis, D, Jovine, L.
登録日2016-03-01
公開日2017-06-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
6SD9
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BU of 6sd9 by Molmil
Crystal structure of wild-type cMET bound by foretinib
分子名称: 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
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDC
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BU of 6sdc by Molmil
Crystal structure of D1228V cMET bound by foretinib
分子名称: 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
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDD
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BU of 6sdd by Molmil
Crystal structure of D1228V cMET bound by BMS-777607
分子名称: 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
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SDE
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BU of 6sde by Molmil
Crystal structure of wild-type cMET bound by savolitinib
分子名称: Hepatocyte growth factor receptor, volitinib
著者Collie, G.W, Phillips, C.
登録日2019-07-26
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and Molecular Insight into Resistance Mechanisms of First Generation cMET Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2DMR
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BU of 2dmr by Molmil
DITHIONITE REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS
分子名称: 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, ...
著者Mcalpine, A.S, Bailey, S.
登録日1997-04-24
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
1DMR
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BU of 1dmr by Molmil
OXIDIZED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS
分子名称: 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, ...
著者Mcalpine, A.S, Bailey, S.
登録日1997-04-22
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
3DMR
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BU of 3dmr by Molmil
STRUCTURE OF DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS AT PH 7.0
分子名称: 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, ...
著者Mcalpine, A.S, Bailey, S.
登録日1997-04-25
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
1EAU
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BU of 1eau by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE
分子名称: 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, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
1EAS
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BU of 1eas by Molmil
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
分子名称: 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, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
1EAT
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BU of 1eat by Molmil
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
分子名称: 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, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4DMR
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BU of 4dmr by Molmil
REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE
分子名称: 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, ...
著者Mcalpine, A.S, Bailey, S.
登録日1997-04-30
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The high resolution crystal structure of DMSO reductase in complex with DMSO.
J.Mol.Biol., 275, 1998
8QPH
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BU of 8qph by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
著者Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
登録日2023-10-02
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
著者Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
登録日2023-10-04
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
4C3S
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BU of 4c3s by Molmil
Structure of a propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
分子名称: ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Marles-Wright, J, Crawshaw, A, Ang, T.F, Altenbach, K.
登録日2013-08-27
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Insight Into Coenzyme a Cofactor Binding and the Mechanism of Acyl-Transfer in an Acylating Aldehyde Dehydrogenase from Clostridium Phytofermentans.
Sci.Rep., 6, 2016
4WY6
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BU of 4wy6 by Molmil
Crystal structure of human BACE-1 bound to Compound 36
分子名称: (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, ...
著者Vajdos, F.F.
登録日2014-11-15
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
4X2L
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BU of 4x2l by Molmil
Crystal structure of human BACE-1 bound to Compound 6
分子名称: (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Vajdos, F.F, Parris, K.
登録日2014-11-26
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
4WY1
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BU of 4wy1 by Molmil
Crystal structure of human BACE-1 bound to Compound 24B
分子名称: (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1
著者Vajdos, F.F, Parris, K.
登録日2014-11-14
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015

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