2X8I
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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1TFB
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5HRR
| HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | Authors: | Nolte, R.T. | Deposit date: | 2016-01-24 | Release date: | 2016-12-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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6ABQ
| Crystal structure of transcription factor from Listeria monocytogenes | Descriptor: | CHLORIDE ION, PadR family transcriptional regulator | Authors: | Lee, C, Hong, M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism. Plos One, 14, 2019
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5HRP
| HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | Authors: | Nolte, R.T. | Deposit date: | 2016-01-24 | Release date: | 2016-12-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5HRS
| HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | Authors: | Nolte, R.T. | Deposit date: | 2016-01-24 | Release date: | 2016-12-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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3H1U
| Structure of ubiquitin in complex with Cd ions | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Qureshi, I.A, Ferron, F, Cheung, P, Lescar, J. | Deposit date: | 2009-04-14 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic structure of ubiquitin in complex with cadmium ions BMC RES NOTES, 2, 2009
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6A42
| R1EN(5-223)-ubiquitin fusion | Descriptor: | ACETIC ACID, RNA-directed DNA polymerase homolog (R1),Polyubiquitin-C | Authors: | Maita, N. | Deposit date: | 2018-06-19 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Determination of Ubiquitin by Fusion to a Protein That Forms a Highly Porous Crystal Lattice J. Am. Chem. Soc., 140, 2018
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6RSP
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5HRN
| HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002 | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | Authors: | Nolte, R.T. | Deposit date: | 2016-01-23 | Release date: | 2016-12-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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1SV5
| CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335 | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-03-27 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants J.Med.Chem., 47, 2004
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1U35
| Crystal structure of the nucleosome core particle containing the histone domain of macroH2A | Descriptor: | H2A histone family, Hist1h4i protein, Histone H3.1, ... | Authors: | Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | Deposit date: | 2004-07-20 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of the histone variant macroH2A. Mol.Cell.Biol., 25, 2005
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6ZX6
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6ZX7
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4P8O
| S. aureus gyrase bound to an aminobenzimidazole urea inhibitor | Descriptor: | 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B | Authors: | Jacobs, M.D. | Deposit date: | 2014-03-31 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. J.Med.Chem., 57, 2014
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3QLH
| HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | Deposit date: | 2011-02-02 | Release date: | 2011-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J.Med.Chem., 54, 2011
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3HPG
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7AY0
| Crystal structure of truncated USP1-UAF1 | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ZINC ION | Authors: | Arkinson, C, Rennie, M.L, Walden, H. | Deposit date: | 2020-11-10 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat.Struct.Mol.Biol., 28, 2021
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7AY2
| Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ... | Authors: | Arkinson, C, Rennie, M.L, Walden, H. | Deposit date: | 2020-11-10 | Release date: | 2021-03-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat.Struct.Mol.Biol., 28, 2021
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4PWM
| Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine | Descriptor: | 5'-[CGCGAATT(5CC)GCG]-3' | Authors: | Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P. | Deposit date: | 2014-03-20 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine. Biochemistry, 54, 2015
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6AZH
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7XHJ
| Crystal structure of RuvC from Deinococcus radiodurans | Descriptor: | Crossover junction endodeoxyribonuclease RuvC | Authors: | Qin, C, Zhao, Y. | Deposit date: | 2022-04-08 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Characterization of the Holliday Junction Resolvase RuvC from Deinococcus radiodurans. Microorganisms, 10, 2022
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4QHT
| Crystal structure of AAA+/ sigma 54 activator domain of the flagellar regulatory protein FlrC from Vibrio cholerae in ATP analog bound state | Descriptor: | 1,2-ETHANEDIOL, Flagellar regulatory protein C, MAGNESIUM ION, ... | Authors: | Dey, S, Biswas, M, Sen, U, Dasgupta, J. | Deposit date: | 2014-05-29 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.559 Å) | Cite: | Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC J.Biol.Chem., 290, 2015
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5IWJ
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6SX3
| Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure | Descriptor: | VK2, ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide | Authors: | Kotar, A, Kocman, V, Plavec, J. | Deposit date: | 2019-09-24 | Release date: | 2019-12-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Intercalation of a Heterocyclic Ligand between Quartets in a G-Rich Tetrahelical Structure. Chemistry, 26, 2020
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