8IJV
 
 | | Cryo-EM structure of the gastric proton pump with bound DQ-02 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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3GB2
 | | GSK3beta inhibitor complex | | Descriptor: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | | Authors: | Mol, C.D. | | Deposit date: | 2009-02-18 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
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3HP5
 | | Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound | | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 | | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | | Deposit date: | 2009-06-03 | | Release date: | 2009-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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2FOI
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. | | Descriptor: | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | Authors: | Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2006-01-13 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
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8JMN
 | | Cryo-EM structure of the gastric proton pump with bound DQ-21 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-06-05 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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7X91
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7X8Z
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7X8W
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7X8Y
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7X90
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7X92
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1BON
 | | THREE-DIMENSIONAL STRUCTURE OF BOMBYXIN-II, AN INSULIN-RELATED BRAIN-SECRETORY PEPTIDE OF THE SILKMOTH BOMBYX MORI: COMPARISON WITH INSULIN AND RELAXIN | | Descriptor: | BOMBYXIN-II,BOMBYXIN A-2, BOMBYXIN-II,BOMBYXIN A-6 | | Authors: | Nagata, K, Hatanaka, H, Kohda, D, Inagaki, F, Structural Proteomics in Europe (SPINE) | | Deposit date: | 1994-07-21 | | Release date: | 1995-01-26 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of bombyxin-II an insulin-like peptide of the silkmoth Bombyx mori: structural comparison with insulin and relaxin.
J.Mol.Biol., 253, 1995
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3JQ4
 | | The structure of the complex of the large ribosomal subunit from D. Radiodurans with the antibiotic lankacidin | | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide | | Authors: | Auerbach-Nevo, T, Mermershtain, I, Davidovich, C, Bashan, A, Rozenberg, H, Yonath, A. | | Deposit date: | 2009-09-06 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | The structure of ribosome-lankacidin complex reveals ribosomal sites for synergistic antibiotics
Proc.Natl.Acad.Sci.USA, 107, 2010
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6LHM
 | | Structure of human PYCR2 | | Descriptor: | Pyrroline-5-carboxylate reductase 2 | | Authors: | Baburajendran, N. | | Deposit date: | 2019-12-09 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
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1UGN
 | | Crystal structure of LIR1.02, one of the alleles of LIR1 | | Descriptor: | Leukocyte immunoglobulin-like receptor 1 | | Authors: | Shiroishi, M, Rasubala, L, Kuroki, K, Amano, K, Tsuchiya, N, Tokunaga, K, Kohda, D, Maenaka, K. | | Deposit date: | 2003-06-17 | | Release date: | 2004-08-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Extensive polymorphisms of LILRB1 (ILT2, LIR1) and their association with HLA-DRB1 shared epitope negative rheumatoid arthritis.
Hum.Mol.Genet., 14, 2005
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1BOM
 | | THREE-DIMENSIONAL STRUCTURE OF BOMBYXIN-II, AN INSULIN-RELATED BRAIN-SECRETORY PEPTIDE OF THE SILKMOTH BOMBYX MORI: COMPARISON WITH INSULIN AND RELAXIN | | Descriptor: | BOMBYXIN-II,BOMBYXIN A-2, BOMBYXIN-II,BOMBYXIN A-6 | | Authors: | Nagata, K, Hatanaka, H, Kohda, D, Inagaki, F. | | Deposit date: | 1994-07-21 | | Release date: | 1994-11-01 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of bombyxin-II an insulin-like peptide of the silkmoth Bombyx mori: structural comparison with insulin and relaxin.
J.Mol.Biol., 253, 1995
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6AHP
 | | Structure of the 58-167 fragment of FliL | | Descriptor: | Flagellar protein FliL | | Authors: | Takekawa, N, Isumi, M, Sakuma, M, Kojima, S, Homma, M, Imada, K. | | Deposit date: | 2018-08-20 | | Release date: | 2019-03-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure ofVibrioFliL, a New Stomatin-like Protein That Assists the Bacterial Flagellar Motor Function.
MBio, 10, 2019
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6AHQ
 | | Structure of the 40-167 fragment of FliL | | Descriptor: | Flagellar protein FliL | | Authors: | Takekawa, N, Isumi, M, Sakuma, M, Kojima, S, Homma, M, Imada, K. | | Deposit date: | 2018-08-20 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.398 Å) | | Cite: | Structure ofVibrioFliL, a New Stomatin-like Protein That Assists the Bacterial Flagellar Motor Function.
MBio, 10, 2019
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6RS2
 | | Structure of the Bateman module of human CNNM4. | | Descriptor: | Metal transporter CNNM4 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2019-05-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.694 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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6BDY
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6BM5
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6BM6
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5GJG
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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6G52
 | | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | | Descriptor: | Metal transporter CNNM4 | | Authors: | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2018-03-28 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.691 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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5GJD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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