5AXC
 
 | | Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin | | Descriptor: | (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kusakabe, Y, Ishihara, M, Tanaka, N. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
To Be Published
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5AXA
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5AXB
 | | Crystal structure of mouse SAHH complexed with noraristeromycin | | Descriptor: | (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kusakabe, Y, Ishihara, M, Tanaka, N. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of mouse SAHH complexed with noraristeromycin
To Be Published
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2L13
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1TYN
 | | ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS | | Descriptor: | BETA-TRYPSIN, CYCLOTHEONAMIDE A | | Authors: | Lee, A.Y, Hagihara, M, Karmacharya, R, Albers, M.W, Schreiber, S.L, Clardy, J. | | Deposit date: | 1994-09-19 | | Release date: | 1995-01-26 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors
J.Am.Chem.Soc., 115, 1993
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3VLG
 | | Crystal structure of the W150A mutant LOX-1 CTLD showing impaired OxLDL binding | | Descriptor: | Oxidized low-density lipoprotein receptor 1 | | Authors: | Nakano, S, Sugihara, M, Yamada, R, Katayanagi, K, Tate, S. | | Deposit date: | 2011-12-01 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural implication for the impaired binding of W150A mutant LOX-1 to oxidized low density lipoprotein, OxLDL
Biochim.Biophys.Acta, 1824, 2012
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2D4F
 | | The Crystal Structure of human beta2-microglobulin | | Descriptor: | Beta-2-microglobulin, SODIUM ION | | Authors: | Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y. | | Deposit date: | 2005-10-18 | | Release date: | 2006-08-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
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2D4D
 | | The Crystal Structure of human beta2-microglobulin, L39W W60F W95F Mutant | | Descriptor: | Beta-2-microglobulin, SODIUM ION | | Authors: | Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y. | | Deposit date: | 2005-10-17 | | Release date: | 2006-08-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
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1KEG
 | | Antibody 64M-2 Fab complexed with dTT(6-4)TT | | Descriptor: | 5'-D(*TP*(64T)P*TP*T)-3', Anti-(6-4) photoproduct antibody 64M-2 Fab (heavy chain), Anti-(6-4) photoproduct antibody 64M-2 Fab (light chain), ... | | Authors: | Yokoyama, H, Mizutani, R, Satow, Y, Sato, K, Komatsu, Y, Ohtsuka, E, Nikaido, O. | | Deposit date: | 2001-11-15 | | Release date: | 2002-11-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the DNA (6-4) photoproduct dTT(6-4)TT in complex with the 64M-2 antibody Fab fragment implies increased antibody-binding affinity by the flanking nucleotides.
Acta Crystallogr.,Sect.D, 68, 2012
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1EHL
 | | 64M-2 ANTIBODY FAB COMPLEXED WITH D(5HT)(6-4)T | | Descriptor: | 5'-(D(5HT)P*(6-4)T)-3', ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (HEAVY CHAIN), ANTI-(6-4) PHOTOPRODUCT ANTIBODY 64M-2 FAB (LIGHT CHAIN) | | Authors: | Yokoyama, H, Mizutani, R, Satow, Y, Komatsu, Y, Ohtsuka, E, Nikaido, O. | | Deposit date: | 2000-02-21 | | Release date: | 2001-02-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the 64M-2 antibody Fab fragment in complex with a DNA dT(6-4)T photoproduct formed by ultraviolet radiation.
J.Mol.Biol., 299, 2000
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5URM
 | | Crystal structure of human BRR2 in complex with T-1206548 | | Descriptor: | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Klein, M.G, Tjhen, R, Qin, L. | | Deposit date: | 2017-02-11 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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5URJ
 | | Crystal structure of human BRR2 in complex with T-3905516 | | Descriptor: | 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Klein, M.G, Tjhen, R, Qin, L. | | Deposit date: | 2017-02-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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5URK
 | | Crystal structure of human BRR2 in complex with T-3935799 | | Descriptor: | 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Qin, L, Tjhen, R, Klein, M.G. | | Deposit date: | 2017-02-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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5DGQ
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8W85
 | | HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ... | | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | Deposit date: | 2023-08-31 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.769 Å) | | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W84
 | | HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | Deposit date: | 2023-08-31 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W86
 | | HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ... | | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | Deposit date: | 2023-08-31 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.236 Å) | | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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8W83
 | | HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | | Deposit date: | 2023-08-31 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.818 Å) | | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
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5JGB
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10 | | Descriptor: | N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-04-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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5JGD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | | Descriptor: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-04-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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5JGA
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c | | Descriptor: | N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-04-19 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
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8H79
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6P8I
 | | N-terminal 5 domains of IGFIIR | | Descriptor: | Cation-independent mannose-6-phosphate receptor, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Olson, L.J, Dahms, N.M, Kim, J.-J.P. | | Deposit date: | 2019-06-07 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
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5GJD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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5GJF
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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