2XYK
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![BU of 2xyk by Molmil](/molmil-images/mine/2xyk) | Group II 2-on-2 Hemoglobin from the Plant Pathogen Agrobacterium tumefaciens | Descriptor: | 2-ON-2 HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pesce, A, Nardini, M, LaBarre, M, Richard, C, Wittenberg, J.B, Wittenberg, B.A, Guertin, M, Bolognesi, M. | Deposit date: | 2010-11-18 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization of a Group II 2/2 Hemoglobin from the Plant Pathogen Agrobacterium Tumefaciens. Biochim.Biophys.Acta, 1814, 2011
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2XP9
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![BU of 2xp9 by Molmil](/molmil-images/mine/2xp9) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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6XJX
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![BU of 6xjx by Molmil](/molmil-images/mine/6xjx) | MCU holocomplex in Low-calcium blocking state | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | Authors: | Wang, Y, Jiang, Y. | Deposit date: | 2020-06-24 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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2XP5
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![BU of 2xp5 by Molmil](/molmil-images/mine/2xp5) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XPK
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![BU of 2xpk by Molmil](/molmil-images/mine/2xpk) | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | Descriptor: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | Deposit date: | 2010-08-26 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases. Chem.Biol, 17, 2010
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6XKV
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![BU of 6xkv by Molmil](/molmil-images/mine/6xkv) | R. capsulatus cyt bc1 with both FeS proteins in b position (CIII2 b-b) | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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6XLP
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![BU of 6xlp by Molmil](/molmil-images/mine/6xlp) | Structure of the essential inner membrane lipopolysaccharide-PbgA complex | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol, ... | Authors: | Payandeh, J, Clairefeuille, T. | Deposit date: | 2020-06-29 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the essential inner membrane lipopolysaccharide-PbgA complex. Nature, 584, 2020
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6XLT
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![BU of 6xlt by Molmil](/molmil-images/mine/6xlt) | |
6X7K
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![BU of 6x7k by Molmil](/molmil-images/mine/6x7k) | Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B3 (TTC-B3) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Molodtsov, V, Ebright, R.H, Wang, C, Su, M. | Deposit date: | 2020-05-30 | Release date: | 2020-09-02 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of transcription-translation coupling. Science, 369, 2020
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2XO4
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![BU of 2xo4 by Molmil](/molmil-images/mine/2xo4) | RIBONUCLEOTIDE REDUCTASE Y730NH2Y MODIFIED R1 SUBUNIT OF E. COLI | Descriptor: | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT ALPHA, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT BETA | Authors: | Minnihan, E.C, Seyedsayamdost, M.R, Uhlin, U, Stubbe, J. | Deposit date: | 2010-08-09 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinetics of Radical Intermediate Formation and Deoxynucleotide Production in 3-Aminotyrosine- Substituted Escherichia Coli Ribonucleotide Reductases. J.Am.Chem.Soc., 133, 2011
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2XP3
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![BU of 2xp3 by Molmil](/molmil-images/mine/2xp3) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2Y4Z
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![BU of 2y4z by Molmil](/molmil-images/mine/2y4z) | Structure of the amino-terminal capsid restriction escape mutation N- MLV L10W | Descriptor: | CAPSID PROTEIN P30, GLYCEROL | Authors: | Goldstone, D.C, Holden-Dye, K, Ohkura, S, Stoye, J.P, Taylor, I.A. | Deposit date: | 2011-01-11 | Release date: | 2011-11-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Novel Escape Mutants Suggest an Extensive Trim5Alpha Binding Site Spanning the Entire Outer Surface of the Murine Leukemia Virus Capsid Protein. Plos Pathog., 7, 2011
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6XDQ
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![BU of 6xdq by Molmil](/molmil-images/mine/6xdq) | Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B3 (TTC-B3) containing an mRNA with a 30 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Molodtsov, V, Ebright, R.H, Wang, C, Su, M. | Deposit date: | 2020-06-11 | Release date: | 2020-09-02 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of transcription-translation coupling. Science, 369, 2020
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6X9H
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![BU of 6x9h by Molmil](/molmil-images/mine/6x9h) | Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1) | Descriptor: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | Authors: | Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M. | Deposit date: | 2020-06-02 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1. Commun Biol, 4, 2021
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6XDK
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![BU of 6xdk by Molmil](/molmil-images/mine/6xdk) | |
2XM1
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![BU of 2xm1 by Molmil](/molmil-images/mine/2xm1) | BtGH84 in complex with N-acetyl gluconolactam | Descriptor: | GLYCEROL, N-ACETYL GLUCONOLACTAM, O-GLCNACASE BT_4395 | Authors: | He, Y, Davies, G.J. | Deposit date: | 2010-07-22 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses. Amino Acids, 40, 2011
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6XD9
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![BU of 6xd9 by Molmil](/molmil-images/mine/6xd9) | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | Descriptor: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-10 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions. Sci Rep, 10, 2020
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6XGF
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![BU of 6xgf by Molmil](/molmil-images/mine/6xgf) | Escherichia coli transcription-translation complex B (TTC-B) containing an 30 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | Authors: | Molodtsov, V, Wang, C, Su, M, Ebright, R.H. | Deposit date: | 2020-06-17 | Release date: | 2020-09-02 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structural basis of transcription-translation coupling. Science, 369, 2020
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6XDT
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![BU of 6xdt by Molmil](/molmil-images/mine/6xdt) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-11 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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2XPA
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![BU of 2xpa by Molmil](/molmil-images/mine/2xpa) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XPY
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![BU of 2xpy by Molmil](/molmil-images/mine/2xpy) | Structure of Native Leukotriene A4 Hydrolase from Saccharomyces cerevisiae | Descriptor: | GLUTATHIONE, GLYCEROL, LEUKOTRIENE A-4 HYDROLASE, ... | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | Deposit date: | 2010-08-31 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding. J.Mol.Biol., 406, 2011
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2XPV
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![BU of 2xpv by Molmil](/molmil-images/mine/2xpv) | TetR(D) in complex with minocycline and magnesium. | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Tetr(D) in Complex with Minocycline. To be Published
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2XV2
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![BU of 2xv2 by Molmil](/molmil-images/mine/2xv2) | Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM), chemically reduced, pH4.2 | Descriptor: | AZURIN, COPPER (I) ION | Authors: | Li, C, Sato, K, Monari, S, Salard, I, Sola, M, Banfield, M.J, Dennison, C. | Deposit date: | 2010-10-22 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-Binding Loop Length is a Determinant of the Pka of a Histidine Ligand at a Type 1 Copper Site Inorg.Chem., 50, 2011
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6XKT
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![BU of 6xkt by Molmil](/molmil-images/mine/6xkt) | R. capsulatus cyt bc1 with both FeS proteins in c position (CIII2 c-c) | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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2XZ1
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![BU of 2xz1 by Molmil](/molmil-images/mine/2xz1) | The Structure of the 2:2 (Fully Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | Authors: | Guy, J.E, Moche, M, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | Deposit date: | 2010-11-22 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases. Proc.Natl.Acad.Sci.USA, 108, 2011
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