8JU3
| Mu phage tail fiber | Descriptor: | Tail fiber protein S,Tail fiber protein S' | Authors: | Yamashita, E, Takeda, S. | Deposit date: | 2023-06-24 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determination of three-dimensional structure of bacteriophase Mu tail fiber To Be Published
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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: | 2023-11-08 | 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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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: | 2023-11-08 | 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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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: | 2023-11-08 | 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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1CCR
| STRUCTURE OF RICE FERRICYTOCHROME C AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | CYTOCHROME C, HEME C | Authors: | Ochi, H, Hata, Y, Tanaka, N, Kakudo, M, Sakurai, T, Aihara, S, Morita, Y. | Deposit date: | 1983-03-14 | Release date: | 1983-04-21 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of rice ferricytochrome c at 2.0 A resolution. J.Mol.Biol., 166, 1983
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7ZZP
| Structure of HDAC2 complexed with an inhibitory ligand | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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8A0B
| Inhibitor binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZU
| Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZT
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZS
| HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZO
| HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZW
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZR
| HDAC2 in complex with inhibitory ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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3FX5
| Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | Deposit date: | 2009-01-20 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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3W9F
| Crystal structure of the ankyrin repeat domain of chicken TRPV4 in complex with IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Vanilloid receptor-related osmotically activated channel protein | Authors: | Itoh, Y, Hamada-nakahara, S, Suetsugu, S. | Deposit date: | 2013-04-04 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P2 Nat Commun, 5, 2014
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3W9G
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3AQO
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1V49
| Solution structure of microtubule-associated protein light chain-3 | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Kouno, T, Mizuguchi, M, Tanida, I, Ueno, T, Kominami, E, Kawano, K. | Deposit date: | 2003-11-11 | Release date: | 2004-12-28 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of microtubule-associated protein light chain 3 and identification of its functional subdomains. J.Biol.Chem., 280, 2005
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1VFL
| Adenosine deaminase | Descriptor: | Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2004-04-16 | Release date: | 2005-08-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Compound Recognition by Adenosine Deaminase Biochemistry, 44, 2005
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1WXY
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2ZYE
| Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | Deposit date: | 2009-01-20 | Release date: | 2009-03-24 | Last modified: | 2021-11-10 | Method: | NEUTRON DIFFRACTION (1.9 Å) | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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3A72
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3A71
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2Z83
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2E2S
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