7X4U
 
 | | Crystal structure of ERK2 with an allosteric inhibitor 2 | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Yoshida, M, Kinoshita, T. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for producing allosteric ERK2 inhibitors
To Be Published
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3W5E
 | | Crystal structure of phosphodiesterase 4B in complex with compound 31e | | Descriptor: | CALCIUM ION, N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide, ZINC ION, ... | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2013-01-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors
Bioorg.Med.Chem.Lett., 23, 2013
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3VRT
 | | VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K. | | Deposit date: | 2012-04-14 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
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3VSX
 | | Human renin in complex with compound 18 | | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VSW
 | | Human renin in complex with compound 8 | | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VSO
 | | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 | | Descriptor: | (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H. | | Deposit date: | 2012-04-30 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
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3VUC
 | | Human renin in complex with compound 5 | | Descriptor: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | | Deposit date: | 2012-06-26 | | Release date: | 2013-05-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Acs Med.Chem.Lett., 3, 2012
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7Y7I
 | | chicken KNL2 in complex with the CENP-A nucleosome | | Descriptor: | Chains: I, Chains: J, Histone H2A type 1-B/E, ... | | Authors: | Ariyoshi, M, Jiang, H, Makino, F, Fukagawa, T. | | Deposit date: | 2022-06-22 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | The cryo-EM structure of the CENP-A nucleosome in complex with ggKNL2.
Biorxiv, 2022
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3VYE
 | | Human renin in complex with inhibitor 7 | | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VYF
 | | Human renin in complex with inhibitor 9 | | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VYD
 | | Human renin in complex with inhibitor 6 | | Descriptor: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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208L
 | | MUTANT HUMAN LYSOZYME C77A | | Descriptor: | CYSTEINE, LYSOZYME | | Authors: | Matsushima, M, Song, H. | | Deposit date: | 1996-03-26 | | Release date: | 1996-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A role of PDI in the reductive cleavage of mixed disulfides.
J.Biochem.(Tokyo), 120, 1996
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207L
 | | MUTANT HUMAN LYSOZYME C77A | | Descriptor: | LYSOZYME, N-ACETYL-L-CYSTEINE | | Authors: | Matsushima, M, Song, H. | | Deposit date: | 1996-03-26 | | Release date: | 1996-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A role of PDI in the reductive cleavage of mixed disulfides.
J.Biochem.(Tokyo), 120, 1996
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2ZXM
 | | A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Ikura, T, Ito, N. | | Deposit date: | 2009-01-04 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
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3W4S
 | | Myo-inositol kinase from Thermococcus kodakarensis | | Descriptor: | Carbohydrate/pyrimidine kinase, PfkB family, IODIDE ION | | Authors: | Fujihashi, M, Miyamoto, Y, Miki, K. | | Deposit date: | 2013-01-10 | | Release date: | 2013-06-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | An uncharacterized member of the ribokinase family in Thermococcus kodakarensis exhibits myo-inositol kinase activity.
J.Biol.Chem., 288, 2013
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2D55
 | | Structural, physical and biological characteristics of RNA.DNA binding agent N8-actinomycin D | | Descriptor: | ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') | | Authors: | Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. | | Deposit date: | 1995-05-01 | | Release date: | 1995-10-15 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the 2:1 Complex between D(Gaagcttc) and the Anticancer Drug Actinomycin D.
J.Mol.Biol., 225, 1992
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3A29
 | | Crystal structure of human liver FBPase in complex with tricyclic inhibitor | | Descriptor: | 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate, Fructose-1,6-bisphosphatase 1 | | Authors: | Takahashi, M, Sone, J, Hanzawa, H. | | Deposit date: | 2009-05-08 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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2EIR
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2EIO
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2EIQ
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2E6Y
 | | Covalent complex of orotidine 5'-monophosphate decarboxylase (ODCase) with 6-Iodo-UMP | | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fujihashi, M, Bello, A.M, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-01-05 | | Release date: | 2007-02-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Potent, Covalent Inhibitor of Orotidine 5'-Monophosphate Decarboxylase with Antimalarial Activity.
J.Med.Chem., 50, 2007
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7P65
 | | Progressive supranuclear palsy tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P66
 | | Globular glial tauopathy type 1 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P6C
 | | Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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7P68
 | | Globular glial tauopathy type 3 tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2021-07-15 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure-based classification of tauopathies.
Nature, 598, 2021
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