7CC2
 
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5GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1 | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-11 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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2A4Z
 | | Crystal Structure of human PI3Kgamma complexed with AS604850 | | Descriptor: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | | Deposit date: | 2005-06-30 | | Release date: | 2005-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
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5DX5
 | | Crystal structure of methionine gamma-lyase from Clostridium sporogenes | | Descriptor: | CHLORIDE ION, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Anufrieva, N.V, Demidkina, T.V. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure of methionine gamma-lyase from Clostridium sporogenes.
Acta Crystallogr.,Sect.F, 72, 2016
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7FH2
 | | Crystal structure of the first bromodomain of BRD4 in complex with 16D10 | | Descriptor: | Bromodomain-containing protein 4, CHLORIDE ION, N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide | | Authors: | Yokoyama, T, Hirasawa, N. | | Deposit date: | 2021-07-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | A chalcone derivative suppresses TSLP induction in mice and human keratinocytes through binding to BET family proteins.
Biochem Pharmacol, 194, 2021
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5FI4
 | | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | | Deposit date: | 2015-12-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
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7EWH
 | | Crystal structure of human PHGDH in complex with Homoharringtonine | | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase | | Authors: | Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F. | | Deposit date: | 2021-05-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma.
Biomed Pharmacother, 166, 2023
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5F8W
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with galactose | | Descriptor: | GLYCEROL, GalNAc/Gal-specific lectin, alpha-D-galactopyranose, ... | | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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7CQ1
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5HW0
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2A5U
 | | Crystal Structure of human PI3Kgamma complexed with AS605240 | | Descriptor: | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
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1Y4L
 | | Crystal structure of Bothrops asper myotoxin II complexed with the anti-trypanosomal drug suramin | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Murakami, M.T, Arruda, E.Z, Melo, P.A, Martinez, A.B, Calil-Elias, S, Tomaz, M.A, Lomonte, B, Gutierrez, J.M, Arni, R.K. | | Deposit date: | 2004-12-01 | | Release date: | 2005-06-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Myotoxic Activity of Bothrops asper Myotoxin II by the Anti-trypanosomal Drug Suramin.
J.Mol.Biol., 350, 2005
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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6ACC
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6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | Descriptor: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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6ACD
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2MAU
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6AFR
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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7DHP
 | | Crystal structure of MazF from Deinococcus radiodurans | | Descriptor: | Endoribonuclease MazF, SULFATE ION | | Authors: | Zhao, Y, Dai, J. | | Deposit date: | 2020-11-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | MazEF Toxin-Antitoxin System-Mediated DNA Damage Stress Response in Deinococcus radiodurans.
Front Genet, 12, 2021
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7DCZ
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G. | | Deposit date: | 2020-10-27 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
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7DR4
 | | Complex of anti-human IL-2 antibody and human IL-2 | | Descriptor: | Interleukin-2, anti-human IL-2 antibody, mouse Ig G, ... | | Authors: | Kim, M.S, Kim, J.E. | | Deposit date: | 2020-12-25 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of human interleukin-2 in complex with TCB2, a new antibody-drug candidate with antitumor activity.
Oncoimmunology, 10, 2021
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6ECI
 | | Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ... | | Authors: | Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J. | | Deposit date: | 2018-08-07 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
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5XWR
 | | Crystal Structure of RBBP4-peptide complex | | Descriptor: | Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE | | Authors: | Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J. | | Deposit date: | 2017-06-30 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7DT2
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7DJR
 | | Crystal structure of SARS-CoV-2 main protease (no ligand) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Deetanya, P, Wangkanont, K. | | Deposit date: | 2020-11-21 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification.
Comput Struct Biotechnol J, 19, 2021
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