7SOI
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![BU of 7soi by Molmil](/molmil-images/mine/7soi) | Structure of I552A Soybean Lipoxygenase at 277K | Descriptor: | FE (III) ION, Lipoxygenase, SODIUM ION | Authors: | Gee, C.L, Offenbacher, A.R, Hu, S. | Deposit date: | 2021-10-31 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Temporal and spatial resolution of distal protein motions that activate hydrogen tunneling in soybean lipoxygenase. Proc.Natl.Acad.Sci.USA, 120, 2023
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7AEQ
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![BU of 7aeq by Molmil](/molmil-images/mine/7aeq) | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AES
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![BU of 7aes by Molmil](/molmil-images/mine/7aes) | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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8CTZ
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![BU of 8ctz by Molmil](/molmil-images/mine/8ctz) | 12-mer DNA structure of ExBIM & O6Me-G bound to RNase-H | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*CP*GP*CP*(6OG)P*AP*AP*TP*TP*(OWR)P*GP*CP*G)-3'), ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Conformation and Pairing Properties of an O 6 -Methyl-2'-deoxyguanosine-Directed Benzimidazole Nucleoside Analog in Duplex DNA. Chem.Res.Toxicol., 35, 2022
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7AGN
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![BU of 7agn by Molmil](/molmil-images/mine/7agn) | Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide | Descriptor: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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5N04
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![BU of 5n04 by Molmil](/molmil-images/mine/5n04) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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2YDG
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![BU of 2ydg by Molmil](/molmil-images/mine/2ydg) | Ascorbate co-crystallized HEWL. | Descriptor: | ASCORBIC ACID, Lysozyme C, SODIUM ION | Authors: | De la Mora, E, Carmichael, I, Garman, E.F. | Deposit date: | 2011-03-19 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals. J.Synchrotron.Radiat., 18, 2011
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8D4T
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![BU of 8d4t by Molmil](/molmil-images/mine/8d4t) | Mammalian CIV with GDN bound | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Di Trani, J, Rubinstein, J. | Deposit date: | 2022-06-02 | Release date: | 2022-07-06 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of mammalian complex IV inhibition by steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
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7AWH
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![BU of 7awh by Molmil](/molmil-images/mine/7awh) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7SQ5
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![BU of 7sq5 by Molmil](/molmil-images/mine/7sq5) | Designed trefoil knot protein, variant 3 | Descriptor: | Designed trefoil knot protein, variant 3, SODIUM ION | Authors: | Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P. | Deposit date: | 2021-11-04 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | De novo design of knotted tandem repeat proteins. Nat Commun, 14, 2023
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7SZ9
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![BU of 7sz9 by Molmil](/molmil-images/mine/7sz9) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D. | Deposit date: | 2021-11-26 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states. Acta Crystallogr D Struct Biol, 78, 2022
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2YCM
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![BU of 2ycm by Molmil](/molmil-images/mine/2ycm) | Inhibitors of herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-16 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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7AEZ
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![BU of 7aez by Molmil](/molmil-images/mine/7aez) | |
6YMM
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7AFY
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![BU of 7afy by Molmil](/molmil-images/mine/7afy) | Crystal structure of the metallo-beta-lactamase VIM1 with 1306 | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ... | Authors: | Brem, J, Schofield, C.J. | Deposit date: | 2020-09-21 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.105 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM2 with 139 To Be Published
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7AKT
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![BU of 7akt by Molmil](/molmil-images/mine/7akt) | CrPetF variant - A39G_A41V | Descriptor: | BENZAMIDINE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kurisu, G, Ohnishi, Y, Engelbrecht, V, Happe, T. | Deposit date: | 2020-10-02 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ferredoxin 2.0: an electron transfer protein designed into a photosystem I-driven hydrogenase To Be Published
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1NTA
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![BU of 1nta by Molmil](/molmil-images/mine/1nta) | 2.9 A crystal structure of Streptomycin RNA-aptamer | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', BARIUM ION, ... | Authors: | Tereshko, V, Skripkin, E, Patel, D.J. | Deposit date: | 2003-01-29 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Encapsulating Streptomycin within a small 40-mer RNA CHEM.BIOL., 10, 2003
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5NJR
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![BU of 5njr by Molmil](/molmil-images/mine/5njr) | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | Deposit date: | 2017-03-29 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mix-and-diffuse serial synchrotron crystallography. IUCrJ, 4, 2017
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7ALA
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![BU of 7ala by Molmil](/molmil-images/mine/7ala) | human GCH-GFRP inhibitory complex | Descriptor: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-10-06 | Release date: | 2021-10-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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7SZ8
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![BU of 7sz8 by Molmil](/molmil-images/mine/7sz8) | |
7AQX
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7T3S
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7AQZ
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![BU of 7aqz by Molmil](/molmil-images/mine/7aqz) | Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB14) | Descriptor: | CITRIC ACID, Nanobody VSG2(NB14), SODIUM ION, ... | Authors: | Stebbins, C.E, Hempelmann, A, VanStraaten, M. | Deposit date: | 2020-10-23 | Release date: | 2021-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome. Cell Rep, 37, 2021
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7TB0
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![BU of 7tb0 by Molmil](/molmil-images/mine/7tb0) | E. faecium MurAA in complex with fosfomycin and UNAG | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Zhou, Y, Shamoo, Y. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Enolpyruvate transferase MurAA A149E , identified during adaptation of Enterococcus faecium to daptomycin, increases stability of MurAA-MurG interaction. J.Biol.Chem., 299, 2023
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6Y02
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![BU of 6y02 by Molmil](/molmil-images/mine/6y02) | Thrombin in complex with 13k | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-02-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Thrombin in complex with 13k To be published
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