5C84
 
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20 | | Descriptor: | (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-25 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | Descriptor: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C7B
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | | Descriptor: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5C0K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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3GH5
 | | Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, beta-hexosaminidase | | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-03-03 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
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3GH7
 | | Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, SULFATE ION, beta-hexosaminidase | | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-03-03 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
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3GH4
 | | Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 | | Descriptor: | ACETIC ACID, SULFATE ION, beta-hexosaminidase | | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-03-03 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
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2ZOX
 | | Crystal Structure of the Covalent Intermediate of Human Cytosolic beta-Glucosidase | | Descriptor: | 4-nitrophenyl alpha-D-glucopyranoside, Cytosolic beta-glucosidase, GLYCEROL, ... | | Authors: | Noguchi, J, Hayashi, Y, Baba, Y, Okino, N, Kimura, M, Ito, M, Kakuta, Y. | | Deposit date: | 2008-06-17 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the covalent intermediate of human cytosolic beta-glucosidase
Biochem.Biophys.Res.Commun., 374, 2008
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3VKK
 | | Crystal Structure Of The Covalent Intermediate Of Human Cytosolic Beta-Glucosidase-mannose complex | | Descriptor: | CHLORIDE ION, Cytosolic beta-glucosidase, GLYCEROL, ... | | Authors: | Noguchi, J, Hayashi, Y, Okino, N, Ito, M, Kimura, M, Kakuta, Y. | | Deposit date: | 2011-11-17 | | Release date: | 2012-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for inhibition mechanism of human cytosolic beta-glucosidase by monnoside
To be Published
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2ZWI
 | | Crystal structure of alpha/beta-Galactoside alpha-2,3-Sialyltransferase from a Luminous Marine Bacterium, Photobacterium phosphoreum | | Descriptor: | Alpha-/beta-galactoside alpha-2,3-sialyltransferase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Iwatani, T, Okino, N, Sakakura, M, Kajiwara, H, Ichikawa, M, Takakura, Y, Kimura, M, Ito, M, Yamamoto, T, Kakuta, Y. | | Deposit date: | 2008-12-05 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of alpha/beta-galactoside alpha2,3-sialyltransferase from a luminous marine bacterium, Photobacterium phosphoreum
Febs Lett., 583, 2009
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7F1D
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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2ZSC
 | | Tamavidin2, Novel Avidin-like Biotin-Binding Proteins from an Edible Mushroom | | Descriptor: | BIOTIN, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Kakuta, Y, Okino, N, Ito, M, Yamamoto, T, Takakura, Y. | | Deposit date: | 2008-09-05 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tamavidins--novel avidin-like biotin-binding proteins from the Tamogitake mushroom
Febs J., 276, 2009
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2ZXC
 | | Ceramidase complexed with C2 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Okano, H, Inoue, T, Okino, N, Kakuta, Y, Matsumura, H, Ito, M. | | Deposit date: | 2008-12-22 | | Release date: | 2009-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
J.Biol.Chem., 284, 2009
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2Z4T
 | | Crystal Structure of Vibrionaceae Photobacterium sp. JT-ISH-224 2,6-sialyltransferase in a Ternary Complex with Donor Product CMP and Accepter Substrate Lactose | | Descriptor: | Beta-galactoside alpha-2,6-sialyltransferase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Kakuta, Y, Okino, N, Kajiwara, H, Ichikawa, M, Takakura, Y, Ito, M, Yamamoto, T. | | Deposit date: | 2007-06-25 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Vibrionaceae Photobacterium sp. JT-ISH-224 alpha2,6-sialyltransferase in a ternary complex with donor product CMP and acceptor substrate lactose: catalytic mechanism and substrate recognition
Glycobiology, 18, 2008
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2ZWS
 | | Crystal Structure Analysis of neutral ceramidase from Pseudomonas aeruginosa | | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Kakuta, Y, Okino, N, Inoue, T, Okano, H, Ito, M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
J.Biol.Chem., 284, 2009
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1AZX
 | | ANTITHROMBIN/PENTASACCHARIDE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ANTITHROMBIN | | Authors: | Jin, L, Abrahams, J.P, Skinner, R, Petitou, M, Pike, R.N, Carrell, R.W. | | Deposit date: | 1997-11-23 | | Release date: | 1999-01-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The anticoagulant activation of antithrombin by heparin.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6W5D
 | | Crystal Structure of Fab RSB1 | | Descriptor: | RSB1 Fab Heavy Chain, RSB1 Fab Light Chain | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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6W52
 | | Prefusion RSV F bound by neutralizing antibody RSB1 | | Descriptor: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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1WZF
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WNX
 | | D136E mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO) | | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Unno, M, Matsui, T, Ikeda-Saito, M. | | Deposit date: | 2004-08-10 | | Release date: | 2004-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM
J.Biol.Chem., 280, 2005
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1WZD
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-CH2CH2COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WNV
 | | D136A mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO) | | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2004-08-10 | | Release date: | 2004-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM
J.Biol.Chem., 280, 2005
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1WZG
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(Salophen)/Wild Type Heme oxygenase | | Descriptor: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, GLYCEROL, Heme oxygenase, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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