3WJF
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![BU of 3wjf by Molmil](/molmil-images/mine/3wjf) | Crystal structure of mutant nitrobindin M75L/H76L/Q96C/V128W/M148L/H158L (NB9) from Arabidopsis thaliana | Descriptor: | UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T. | Deposit date: | 2013-10-08 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity CHEMCATCHEM, 2014
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3WAQ
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![BU of 3waq by Molmil](/molmil-images/mine/3waq) | Hemerythrin-like domain of DcrH I119E mutant (met) | Descriptor: | Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | Deposit date: | 2013-05-07 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin Inorg.Chem., 52, 2013
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3WJG
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![BU of 3wjg by Molmil](/molmil-images/mine/3wjg) | Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148W/H158L (NB10) from Arabidopsis thaliana | Descriptor: | GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T. | Deposit date: | 2013-10-08 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity CHEMCATCHEM, 2014
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1FL3
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![BU of 1fl3 by Molmil](/molmil-images/mine/1fl3) | |
6BHP
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![BU of 6bhp by Molmil](/molmil-images/mine/6bhp) | |
5W8J
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![BU of 5w8j by Molmil](/molmil-images/mine/5w8j) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lukacs, C.M, Moulin, A. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5W8K
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![BU of 5w8k by Molmil](/molmil-images/mine/5w8k) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5W8I
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![BU of 5w8i by Molmil](/molmil-images/mine/5w8i) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Abendroth, J. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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7C0C
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![BU of 7c0c by Molmil](/molmil-images/mine/7c0c) | |
7C0D
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1C4L
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![BU of 1c4l by Molmil](/molmil-images/mine/1c4l) | SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE-PAIR | Descriptor: | RNA (5'-R(*CP*CP*UP*GP*CP*GP*UP*CP*G)-3'), RNA (5'-R(*CP*GP*AP*CP*UP*CP*AP*GP*G)-3') | Authors: | Tanaka, Y, Kojima, C, Yamazaki, T, Kodama, T.S, Yasuno, K, Miyashita, S, Ono, A.M, Ono, A.S, Kainosho, M, Kyogoku, Y. | Deposit date: | 1999-08-30 | Release date: | 2000-08-09 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of an RNA duplex including a C-U base pair. Biochemistry, 39, 2000
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1X02
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![BU of 1x02 by Molmil](/molmil-images/mine/1x02) | Solution structure of stereo array isotope labeled (SAIL) calmodulin | Descriptor: | CALCIUM ION, calmodulin | Authors: | Kainosho, M, Torizawa, T, Terauchi, T, Ono, A.M, Guntert, P. | Deposit date: | 2005-03-11 | Release date: | 2006-03-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Optimal isotope labelling for NMR protein structure determinations. Nature, 440, 2006
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6DQB
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![BU of 6dqb by Molmil](/molmil-images/mine/6dqb) | LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ8
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![BU of 6dq8 by Molmil](/molmil-images/mine/6dq8) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ6
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6DQF
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6DQA
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![BU of 6dqa by Molmil](/molmil-images/mine/6dqa) | Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQC
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![BU of 6dqc by Molmil](/molmil-images/mine/6dqc) | |
6DQ7
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6DQ4
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![BU of 6dq4 by Molmil](/molmil-images/mine/6dq4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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1GIP
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2D21
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![BU of 2d21 by Molmil](/molmil-images/mine/2d21) | NMR Structure of stereo-array isotope labelled (SAIL) maltodextrin-binding protein (MBP) | Descriptor: | Maltose-binding periplasmic protein | Authors: | Kainosho, M, Torizawa, T, Iwashita, Y, Terauchi, T, Ono, A.M, Guntert, P. | Deposit date: | 2005-09-02 | Release date: | 2006-03-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Optimal isotope labelling for NMR protein structure determinations. Nature, 440, 2006
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8B65
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![BU of 8b65 by Molmil](/molmil-images/mine/8b65) | Structure of rsCherry crystallized in anaerobic conditions | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bui, T.Y.H, Van Meervelt, L. | Deposit date: | 2022-09-26 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry. Int.J.Biol.Macromol., 239, 2023
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8B7G
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![BU of 8b7g by Molmil](/molmil-images/mine/8b7g) | Structure of oxygen-degraded rsCherry | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bui, T.Y.H, Van Meervelt, L. | Deposit date: | 2022-09-29 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry. Int.J.Biol.Macromol., 239, 2023
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8SNX
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![BU of 8snx by Molmil](/molmil-images/mine/8snx) | Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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