7CIC
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![BU of 7cic by Molmil](/molmil-images/mine/7cic) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI9
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![BU of 7ci9 by Molmil](/molmil-images/mine/7ci9) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI5
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![BU of 7ci5 by Molmil](/molmil-images/mine/7ci5) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIB
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![BU of 7cib by Molmil](/molmil-images/mine/7cib) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI7
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![BU of 7ci7 by Molmil](/molmil-images/mine/7ci7) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI8
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![BU of 7ci8 by Molmil](/molmil-images/mine/7ci8) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIE
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![BU of 7cie by Molmil](/molmil-images/mine/7cie) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CI6
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![BU of 7ci6 by Molmil](/molmil-images/mine/7ci6) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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7CIA
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![BU of 7cia by Molmil](/molmil-images/mine/7cia) | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | Deposit date: | 2020-07-07 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
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2YTV
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![BU of 2ytv by Molmil](/molmil-images/mine/2ytv) | Solution structure of the fifth cold-shock domain of the human KIAA0885 protein (unr protein) | Descriptor: | Cold shock domain-containing protein E1 | Authors: | Goroncy, A.K, Tochio, N, Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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2YTX
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![BU of 2ytx by Molmil](/molmil-images/mine/2ytx) | Solution structure of the second cold-shock domain of the human KIAA0885 protein (UNR protein) | Descriptor: | Cold shock domain-containing protein E1 | Authors: | Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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2YT0
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![BU of 2yt0 by Molmil](/molmil-images/mine/2yt0) | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | Descriptor: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | Authors: | Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode J.Biol.Chem., 283, 2008
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2YT1
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![BU of 2yt1 by Molmil](/molmil-images/mine/2yt1) | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | Descriptor: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | Authors: | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode J.Biol.Chem., 283, 2008
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2YSZ
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![BU of 2ysz by Molmil](/molmil-images/mine/2ysz) | Solution structure of the chimera of the C-terminal PID domain of Fe65L and the C-terminal tail peptide of APP | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 2 and Amyloid beta A4 protein | Authors: | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode J.Biol.Chem., 283, 2008
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9BKN
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![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9BKO
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![BU of 9bko by Molmil](/molmil-images/mine/9bko) | DHODH in complex with Ligand 26 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9BKM
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![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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7C3N
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![BU of 7c3n by Molmil](/molmil-images/mine/7c3n) | Crystal structure of JAK3 in complex with Delgocitinib | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | Deposit date: | 2020-05-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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2YUE
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![BU of 2yue by Molmil](/molmil-images/mine/2yue) | Solution structure of the NEUZ (NHR) domain in Neuralized from Drosophila melanogaster | Descriptor: | Protein neuralized | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-06 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural and functional characterization of the NHR1 domain of the Drosophila neuralized E3 ligase in the notch signaling pathway. J.Mol.Biol., 393, 2009
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7C7V
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![BU of 7c7v by Molmil](/molmil-images/mine/7c7v) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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7C7W
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![BU of 7c7w by Molmil](/molmil-images/mine/7c7w) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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7T5A
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![BU of 7t5a by Molmil](/molmil-images/mine/7t5a) | Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in tungstate-bound form | Descriptor: | AMMONIUM ION, Molybdate-binding periplasmic protein ModA, TUNGSTATE(VI)ION | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-11 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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7T4Z
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![BU of 7t4z by Molmil](/molmil-images/mine/7t4z) | Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in ligand-free form | Descriptor: | AMMONIUM ION, GLYCEROL, Molybdate-binding periplasmic protein, ... | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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7T50
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![BU of 7t50 by Molmil](/molmil-images/mine/7t50) | Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in chromate-bound form | Descriptor: | AMMONIUM ION, Chromate, GLYCEROL, ... | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-11 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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7T51
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![BU of 7t51 by Molmil](/molmil-images/mine/7t51) | Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in molybdate-bound form | Descriptor: | AMMONIUM ION, GLYCEROL, MOLYBDATE ION, ... | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-11 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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