7EIP
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![BU of 7eip by Molmil](/molmil-images/mine/7eip) | Crystal structure of ligand-free chondroitin ABC lyase I | Descriptor: | ACETATE ION, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | Authors: | Takashima, M, Miyanaga, A, Eguchi, T. | Deposit date: | 2021-03-31 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides. Glycobiology, 31, 2021
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7EIS
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7EIR
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![BU of 7eir by Molmil](/molmil-images/mine/7eir) | Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 6S | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, GLYCEROL, ... | Authors: | Takashima, M, Miyanaga, A, Eguchi, T. | Deposit date: | 2021-03-31 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides. Glycobiology, 31, 2021
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7EIQ
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3VUC
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![BU of 3vuc by Molmil](/molmil-images/mine/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: | 2023-11-08 | 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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3WJW
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![BU of 3wjw by Molmil](/molmil-images/mine/3wjw) | Wild-type orotidine 5'-monophosphate decarboxylase from M. thermoautotrophicus complexed with 6-methyl-UMP | Descriptor: | 6-methyluridine 5'-(dihydrogen phosphate), Orotidine 5'-phosphate decarboxylase | Authors: | Fujihashi, M, Kuroda, S, Pai, E.F, Miki, K. | Deposit date: | 2013-10-17 | Release date: | 2013-12-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. J.Am.Chem.Soc., 135, 2013
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3WJX
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![BU of 3wjx by Molmil](/molmil-images/mine/3wjx) | Wild-type orotidine 5'-monophosphate decarboxylase from M. thermoautotrophicus complexed with 6-amino-UMP | Descriptor: | 6-AMINOURIDINE 5'-MONOPHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fujihashi, M, Kuroda, S, Pai, E.F, Miki, K. | Deposit date: | 2013-10-17 | Release date: | 2013-12-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. J.Am.Chem.Soc., 135, 2013
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3WUS
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![BU of 3wus by Molmil](/molmil-images/mine/3wus) | Crystal Structure of the Vif-Binding Domain of Human APOBEC3F | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3F, ZINC ION | Authors: | Nakashima, M, Kawamura, T, Ode, H, Watanabe, N, Iwatani, Y. | Deposit date: | 2014-05-02 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural Insights into HIV-1 Vif-APOBEC3F Interaction. J.Virol., 90, 2015
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3WJY
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3W5E
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![BU of 3w5e by Molmil](/molmil-images/mine/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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3WK1
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3WJZ
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![BU of 3wjz by Molmil](/molmil-images/mine/3wjz) | Orotidine 5'-monophosphate decarboxylase D75N mutant from M. thermoautotrophicus complexed with 6-amino-UMP | Descriptor: | 6-AMINOURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Fujihashi, M, Pai, E.F, Miki, K. | Deposit date: | 2013-10-17 | Release date: | 2013-12-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. J.Am.Chem.Soc., 135, 2013
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2E8A
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![BU of 2e8a by Molmil](/molmil-images/mine/2e8a) | Crystal structure of the human Hsp70 ATPase domain in complex with AMP-PNP | Descriptor: | Heat shock 70kDa protein 1A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-19 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state. Acta Crystallogr.,Sect.D, 66, 2010
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7X85
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7VHZ
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![BU of 7vhz by Molmil](/molmil-images/mine/7vhz) | Crystal structure of EP300 HAT domain in complex with compound 7 | Descriptor: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
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![BU of 7vhy by Molmil](/molmil-images/mine/7vhy) | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VI0
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![BU of 7vi0 by Molmil](/molmil-images/mine/7vi0) | Crystal structure of EP300 HAT domain in complex with compound 11 | Descriptor: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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3WK3
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3WK0
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3WK2
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3WD9
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![BU of 3wd9 by Molmil](/molmil-images/mine/3wd9) | Crystal structure of phosphodiesterase 4B in complex with compound 10f | Descriptor: | 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide, CALCIUM ION, ZINC ION, ... | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2013-06-11 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors Bioorg.Med.Chem., 21, 2013
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2E88
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![BU of 2e88 by Molmil](/molmil-images/mine/2e88) | Crystal structure of the human Hsp70 ATPase domain in the apo form | Descriptor: | Heat shock 70kDa protein 1A, ZINC ION | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-19 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state. Acta Crystallogr.,Sect.D, 66, 2010
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3W4S
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3WHC
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5WX8
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![BU of 5wx8 by Molmil](/molmil-images/mine/5wx8) | Human herpesvirus 6A immediate early protein 2 C-terminal domain | Descriptor: | Immediate-early protein 2 | Authors: | Nishimura, M, Wang, J, Wakata, A, Sakamoto, K, Mori, Y. | Deposit date: | 2017-01-06 | Release date: | 2017-08-02 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the DNA-Binding Domain of Human Herpesvirus 6A Immediate Early Protein 2. J. Virol., 91, 2017
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