1N2S
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![BU of 1n2s by Molmil](/molmil-images/mine/1n2s) | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, Mcmiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | Deposit date: | 2002-10-24 | Release date: | 2002-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variation on a Theme of SDR. dTDP-6-Deoxy-L- lyxo-4-Hexulose Reductase (RmlD) Shows a New Mg(2+)-Dependent Dimerization Mode Structure, 10, 2002
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1U1X
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![BU of 1u1x by Molmil](/molmil-images/mine/1u1x) | Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79 | Descriptor: | (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, Phenazine biosynthesis protein phzF | Authors: | Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V. | Deposit date: | 2004-07-16 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens. Proc.Natl.Acad.Sci.USA, 101, 2004
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1U1V
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![BU of 1u1v by Molmil](/molmil-images/mine/1u1v) | Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79 | Descriptor: | GLYCEROL, Phenazine biosynthesis protein phzF, SULFATE ION | Authors: | Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V. | Deposit date: | 2004-07-16 | Release date: | 2004-11-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens. Proc.Natl.Acad.Sci.USA, 101, 2004
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7LS3
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![BU of 7ls3 by Molmil](/molmil-images/mine/7ls3) | Co-complex CYP46A1 with 8114 (3f) | Descriptor: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-17 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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7LRL
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![BU of 7lrl by Molmil](/molmil-images/mine/7lrl) | Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-16 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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7LS4
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![BU of 7ls4 by Molmil](/molmil-images/mine/7ls4) | Co-complex CYP46A1 with 9129 (1b) | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-17 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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1U1W
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![BU of 1u1w by Molmil](/molmil-images/mine/1u1w) | Structure and function of phenazine-biosynthesis protein PhzF from Pseudomonas fluorescens 2-79 | Descriptor: | 3-HYDROXYANTHRANILIC ACID, ACETATE ION, GLYCEROL, ... | Authors: | Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V. | Deposit date: | 2004-07-16 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens. Proc.Natl.Acad.Sci.USA, 101, 2004
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6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6M95
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![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-22 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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1BW0
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![BU of 1bw0 by Molmil](/molmil-images/mine/1bw0) | CRYSTAL STRUCTURE OF TYROSINE AMINOTRANSFERASE FROM TRYPANOSOMA CRUZI | Descriptor: | PROTEIN (TYROSINE AMINOTRANSFERASE) | Authors: | Blankenfeldt, W, Montemartini, M, Hunter, G.R, Kalisz, H.M, Nowicki, C, Hecht, H.J. | Deposit date: | 1998-09-28 | Release date: | 1999-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi tyrosine aminotransferase: substrate specificity is influenced by cofactor binding mode. Protein Sci., 8, 1999
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7K41
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![BU of 7k41 by Molmil](/molmil-images/mine/7k41) | Bacterial O-GlcNAcase (OGA) with compound | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | Authors: | Lane, W, Tjhen, R, Snell, G, Sang, B. | Deposit date: | 2020-09-14 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J.Med.Chem., 64, 2021
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1G1L
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![BU of 1g1l by Molmil](/molmil-images/mine/1g1l) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-GLUCOSE COMPLEX. | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, CITRIC ACID, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naimsmith, J.H. | Deposit date: | 2000-10-12 | Release date: | 2000-12-27 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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1G0R
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![BU of 1g0r by Molmil](/molmil-images/mine/1g0r) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). THYMIDINE/GLUCOSE-1-PHOSPHATE COMPLEX. | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION, ... | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-07 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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1G23
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![BU of 1g23 by Molmil](/molmil-images/mine/1g23) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). GLUCOSE-1-PHOSPHATE COMPLEX. | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-16 | Release date: | 2000-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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1FXO
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![BU of 1fxo by Molmil](/molmil-images/mine/1fxo) | |
1FZW
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![BU of 1fzw by Molmil](/molmil-images/mine/1fzw) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). APO ENZYME. | Descriptor: | GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-04 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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3SK1
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![BU of 3sk1 by Molmil](/molmil-images/mine/3sk1) | |
1G2V
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![BU of 1g2v by Molmil](/molmil-images/mine/1g2v) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TTP COMPLEX. | Descriptor: | GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-21 | Release date: | 2000-12-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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1G3L
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![BU of 1g3l by Molmil](/molmil-images/mine/1g3l) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-L-RHAMNOSE COMPLEX. | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H. | Deposit date: | 2000-10-24 | Release date: | 2000-12-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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3SK2
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![BU of 3sk2 by Molmil](/molmil-images/mine/3sk2) | |
6EDL
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![BU of 6edl by Molmil](/molmil-images/mine/6edl) | hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-08-09 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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6EBW
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![BU of 6ebw by Molmil](/molmil-images/mine/6ebw) | hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone | Descriptor: | ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-08-07 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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6E0R
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![BU of 6e0r by Molmil](/molmil-images/mine/6e0r) | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-07-06 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
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4ZA1
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![BU of 4za1 by Molmil](/molmil-images/mine/4za1) | Crystal Structure of NosA Involved in Nosiheptide Biosynthesis | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA | Authors: | Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C. | Deposit date: | 2015-04-13 | Release date: | 2015-08-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis Sci Rep, 5, 2015
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2LGK
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![BU of 2lgk by Molmil](/molmil-images/mine/2lgk) | NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide | Authors: | Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C. | Deposit date: | 2011-07-28 | Release date: | 2011-09-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger. Cell Res., 21, 2011
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