2LIT
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![BU of 2lit by Molmil](/molmil-images/mine/2lit) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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2LIR
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![BU of 2lir by Molmil](/molmil-images/mine/2lir) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in oxidized states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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2MHM
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![BU of 2mhm by Molmil](/molmil-images/mine/2mhm) | Solution structure of cytochrome c Y67H | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W.X, Wang, Z.H, Yang, Z.Z, Ying, T.L, Wu, H.M, Tan, X.S, Cao, C.Y, Huang, Z.X. | Deposit date: | 2013-11-26 | Release date: | 2014-10-29 | Method: | SOLUTION NMR | Cite: | Structural Basis for Cytochrome c Y67H Mutant to Function as a Peroxidase Plos One, 9, 2014
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5J3F
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![BU of 5j3f by Molmil](/molmil-images/mine/5j3f) | NMR solution structure of [Rp, Rp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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5J3G
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![BU of 5j3g by Molmil](/molmil-images/mine/5j3g) | |
5J3I
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![BU of 5j3i by Molmil](/molmil-images/mine/5j3i) | NMR solution structure of [Sp, Sp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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7CWH
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![BU of 7cwh by Molmil](/molmil-images/mine/7cwh) | Structural basis of RACK7 PHD to read a pediatric glioblastoma-associated histone mutation H3.3G34R | Descriptor: | Peptide from Histone H3.3, Protein kinase C-binding protein 1, ZINC ION | Authors: | Lan, W.X, Li, Z, Jiao, F.F, Wang, C.X, Guo, R, Cao, C.Y. | Deposit date: | 2020-08-28 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis of RACK7 PHD domain to read a pediatric glioblastoma‐associated histone mutation H3.3G34R Chin.J.Chem., 2021
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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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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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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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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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6X6U
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![BU of 6x6u by Molmil](/molmil-images/mine/6x6u) | WOR5 from Pyrococcus furiosus, taurine-bound | Descriptor: | 2-AMINOETHANESULFONIC ACID, CHLORIDE ION, Formaldehyde:ferredoxin oxidoreductase wor5, ... | Authors: | Lanzilotta, W.N, Mathew, L.G. | Deposit date: | 2020-05-29 | Release date: | 2021-12-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | An unprecedented function for a tungsten-containing oxidoreductase. J.Biol.Inorg.Chem., 27, 2022
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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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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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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) | |
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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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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7N3L
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![BU of 7n3l by Molmil](/molmil-images/mine/7n3l) | Co-complex CYP46A1 with 0420 (compound 6) | Descriptor: | 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ... | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-06-01 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
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7N3M
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![BU of 7n3m by Molmil](/molmil-images/mine/7n3m) | Co-complex CYP46A1 with 0431 (compound 17) | Descriptor: | Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-06-01 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
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7N6F
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![BU of 7n6f by Molmil](/molmil-images/mine/7n6f) | Co-complex CYP46A1 with compound 3f | Descriptor: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | Authors: | Lane, W, Gay, S.C. | Deposit date: | 2021-06-08 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H) Eur.J.Med.Chem., 240, 2022
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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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1KC1
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![BU of 1kc1 by Molmil](/molmil-images/mine/1kc1) | Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH | Descriptor: | MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE 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: | 2001-11-07 | Release date: | 2002-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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1KBZ
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![BU of 1kbz by Molmil](/molmil-images/mine/1kbz) | Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium | Descriptor: | MAGNESIUM ION, dTDP-glucose oxidoreductase | 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: | 2001-11-07 | Release date: | 2002-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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1KC3
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![BU of 1kc3 by Molmil](/molmil-images/mine/1kc3) | Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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: | 2001-11-07 | Release date: | 2002-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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