2YC5
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![BU of 2yc5 by Molmil](/molmil-images/mine/2yc5) | Inhibitors of the herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-11 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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7F5W
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5JQG
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![BU of 5jqg by Molmil](/molmil-images/mine/5jqg) | An apo tubulin-RB-TTL complex structure used for side-by-side comparison | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y.X, Naismith, J.H, Zhu, X. | Deposit date: | 2016-05-04 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule Nat Commun, 7, 2016
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7OZM
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![BU of 7ozm by Molmil](/molmil-images/mine/7ozm) | Crystal Structure of mtbMGL K74A (Closed Cap Conformation) | Descriptor: | ISOPROPYL ALCOHOL, Monoacylglycerol lipase | Authors: | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | Deposit date: | 2021-06-28 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket. Biomolecules, 11, 2021
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7P0Y
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![BU of 7p0y by Molmil](/molmil-images/mine/7p0y) | Crystal Structure of mtbMGL K74A (Substrate Analog Complex) | Descriptor: | 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane, Monoacylglycerol lipase | Authors: | Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M. | Deposit date: | 2021-06-30 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket. Biomolecules, 11, 2021
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5JXU
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![BU of 5jxu by Molmil](/molmil-images/mine/5jxu) | Structural basis for the catalytic activity of Thermomonospora curvata heme-containing DyP-type peroxidase. | Descriptor: | Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ramyar, K.X, Carlson, E.A, Li, P, Geisbrecht, B.V. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Identification of Surface-Exposed Protein Radicals and A Substrate Oxidation Site in A-Class Dye-Decolorizing Peroxidase from Thermomonospora curvata. ACS Catal, 6, 2016
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2C8P
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![BU of 2c8p by Molmil](/molmil-images/mine/2c8p) | lysozyme (60sec) and UV laser excited fluorescence | Descriptor: | LYSOZYME C | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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5K05
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![BU of 5k05 by Molmil](/molmil-images/mine/5k05) | Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | Descriptor: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5K0F
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![BU of 5k0f by Molmil](/molmil-images/mine/5k0f) | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5K1G
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![BU of 5k1g by Molmil](/molmil-images/mine/5k1g) | Crystal structure of reduced Prx3 from Vibrio vulnificus | Descriptor: | 1-Cys peroxiredoxin | Authors: | Ahn, J, Ha, N.-C. | Deposit date: | 2016-05-18 | Release date: | 2017-05-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Crystal structure of peroxiredoxin 3 fromVibrio vulnificusand its implications for scavenging peroxides and nitric oxide. IUCrJ, 5, 2018
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5K2I
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1C9H
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![BU of 1c9h by Molmil](/molmil-images/mine/1c9h) | CRYSTAL STRUCTURE OF FKBP12.6 IN COMPLEX WITH RAPAMYCIN | Descriptor: | FKBP12.6, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | Authors: | Deivanayagam, C.C.S, Carson, M, Thotakura, A, Narayana, S.V.L, Chodavarapu, C.S. | Deposit date: | 1999-08-02 | Release date: | 2000-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of FKBP12.6 in complex with rapamycin. Acta Crystallogr.,Sect.D, 56, 2000
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2CJE
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![BU of 2cje by Molmil](/molmil-images/mine/2cje) | THE CRYSTAL STRUCTURE OF A COMPLEX OF Leishmania major DUTPASE WITH SUBSTRATE ANALOGUE DUPNHP | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE, DUTPASE, MAGNESIUM ION | Authors: | Moroz, O.V, Fogg, M.J, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2006-03-31 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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7F4B
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![BU of 7f4b by Molmil](/molmil-images/mine/7f4b) | The crystal structure of the immature apo-enzyme of homoserine dehydrogenase from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | MAGNESIUM ION, homoserine dehydrogenase | Authors: | Kurihara, E, Kubota, T, Watanabe, K, Ogata, K, Kaneko, R, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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7F4C
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![BU of 7f4c by Molmil](/molmil-images/mine/7f4c) | The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | 1,4-BUTANEDIOL, Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogata, K, Kaneko, R, Kubota, T, Watanabe, K, Kurihara, E, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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7FGX
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![BU of 7fgx by Molmil](/molmil-images/mine/7fgx) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7F5D
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![BU of 7f5d by Molmil](/molmil-images/mine/7f5d) | Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57150865 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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7FGY
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![BU of 7fgy by Molmil](/molmil-images/mine/7fgy) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7F5E
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![BU of 7f5e by Molmil](/molmil-images/mine/7f5e) | Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound | Descriptor: | N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20017123 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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7F5C
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![BU of 7f5c by Molmil](/molmil-images/mine/7f5c) | Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65004492 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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1YP8
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7FGW
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![BU of 7fgw by Molmil](/molmil-images/mine/7fgw) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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5K5X
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![BU of 5k5x by Molmil](/molmil-images/mine/5k5x) | Crystal structure of human PDGFRA | Descriptor: | Platelet-derived growth factor receptor alpha, SULFATE ION | Authors: | Yan, X.E, Liang, L, Yun, C.H. | Deposit date: | 2016-05-24 | Release date: | 2016-08-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Structural and biochemical studies of the PDGFRA kinase domain Biochem.Biophys.Res.Commun., 477, 2016
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5K09
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![BU of 5k09 by Molmil](/molmil-images/mine/5k09) | Crystal Structure of COMT in complex with a thiazole ligand | Descriptor: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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7FAV
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![BU of 7fav by Molmil](/molmil-images/mine/7fav) | Crystal Structure of Rubella Protease | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quek, J.P. | Deposit date: | 2021-07-07 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of the Rubella virus protease reveals a unique papain-like protease fold. J.Biol.Chem., 298, 2022
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