8TER
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![BU of 8ter by Molmil](/molmil-images/mine/8ter) | Tropomyosin-receptor kinase fused gene protein (TRK-fused gene protein; TFG) Low Complexity Domain (residues 237-327) P285L mutant, amyloid fiber | Descriptor: | TRK-fused gene protein Low Complexity Domain P285L mutant | Authors: | Rosenberg, G.M, Sawaya, M.R, Boyer, D.R, Ge, P, Abskharon, R, Eisenberg, D.S. | Deposit date: | 2023-07-06 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Fibril structures of TFG protein mutants validate the identification of TFG as a disease-related amyloid protein by the IMPAcT method. Pnas Nexus, 2, 2023
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1G9K
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8DWK
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![BU of 8dwk by Molmil](/molmil-images/mine/8dwk) | Inhibitor-3:PP1 reconstituted complex | Descriptor: | E3 ubiquitin-protein ligase PPP1R11, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | Authors: | Choy, M.S, Srivastava, G, Page, R, Peti, W. | Deposit date: | 2022-08-01 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction. Nat Commun, 14, 2023
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8EDH
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7TAP
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![BU of 7tap by Molmil](/molmil-images/mine/7tap) | Cryo-EM structure of archazolid A bound to yeast VO V-ATPase | Descriptor: | Archazolid A, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R. | Deposit date: | 2021-12-21 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors. Acs Chem.Biol., 17, 2022
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4YF0
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![BU of 4yf0 by Molmil](/molmil-images/mine/4yf0) | HU38-19bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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7QO2
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![BU of 7qo2 by Molmil](/molmil-images/mine/7qo2) | Peptide GAKSAA in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-23 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide GAKSAA in complex with human cathepsin V C25A mutant To Be Published
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7QSH
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![BU of 7qsh by Molmil](/molmil-images/mine/7qsh) | 23S ribosomal RNA Sarcin Ricin Loop 27-nt fragment containing a Xanthosine residue at position 2648 | Descriptor: | 23S ribosomal RNA Sarcin Ricin Loop 27-nucleotide fragment, 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one, GLYCEROL, ... | Authors: | Ennifar, E, Micura, R. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA. Nucleic Acids Res., 50, 2022
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7TAO
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![BU of 7tao by Molmil](/molmil-images/mine/7tao) | Cryo-EM structure of bafilomycin A1 bound to yeast VO V-ATPase | Descriptor: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R. | Deposit date: | 2021-12-21 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors. Acs Chem.Biol., 17, 2022
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7QUA
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![BU of 7qua by Molmil](/molmil-images/mine/7qua) | Duplex RNA containing Xanthosine-Cytosine base pairs | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*(XAN)P*AP*UP*UP*AP*GP*CP*G)-3'), SODIUM ION | Authors: | Ennifar, E, Micura, R. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA. Nucleic Acids Res., 50, 2022
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7QVO
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![BU of 7qvo by Molmil](/molmil-images/mine/7qvo) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with guanidine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2022-01-22 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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8TEQ
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![BU of 8teq by Molmil](/molmil-images/mine/8teq) | Tropomyosin-receptor kinase fused gene protein (TRK-fused gene protein; TFG) Low Complexity Domain (residues 237-327) G269V mutant, amyloid fiber | Descriptor: | TRK-fused gene protein Low Complexity Domain G269V mutant | Authors: | Rosenberg, G.M, Sawaya, M.R, Boyer, D.R, Ge, P, Abskharon, R, Eisenberg, D.S. | Deposit date: | 2023-07-06 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Fibril structures of TFG protein mutants validate the identification of TFG as a disease-related amyloid protein by the IMPAcT method. Pnas Nexus, 2, 2023
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4JGQ
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![BU of 4jgq by Molmil](/molmil-images/mine/4jgq) | The crystal structure of sporulation kinase D mutant sensor domain, r131a, from Bacillus subtilis subsp in co-crystallization with pyruvate | Descriptor: | ACETIC ACID, Sporulation kinase D | Authors: | Wu, R, Schiffer, M, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-03-01 | Release date: | 2013-05-15 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Insight into the sporulation phosphorelay: Crystal structure of the sensor domain of Bacillus subtilis histidine kinase, KinD. Protein Sci., 22, 2013
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7QRM
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![BU of 7qrm by Molmil](/molmil-images/mine/7qrm) | Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.7 A resolution | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Sarewicz, M, Szwalec, M, Indyka, P, Rawski, M, Pintscher, S, Pietras, R, Mielecki, B, Jaciuk, M, Glatt, S, Osyczka, A. | Deposit date: | 2022-01-11 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | High-resolution cryo-EM structures of plant cytochrome b 6 f at work. Sci Adv, 9, 2023
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6PSD
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6PS6
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![BU of 6ps6 by Molmil](/molmil-images/mine/6ps6) | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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7QVN
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![BU of 7qvn by Molmil](/molmil-images/mine/7qvn) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with(1H-pyrazol-5-yl)methanol | Descriptor: | 1~{H}-pyrazol-5-ylmethanol, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2022-01-22 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7TJK
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![BU of 7tjk by Molmil](/molmil-images/mine/7tjk) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with docked Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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8DSD
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![BU of 8dsd by Molmil](/molmil-images/mine/8dsd) | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S | Descriptor: | (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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4YLE
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![BU of 4yle by Molmil](/molmil-images/mine/4yle) | Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose | Descriptor: | Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-05 | Release date: | 2015-04-15 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose To be published
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6PU9
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![BU of 6pu9 by Molmil](/molmil-images/mine/6pu9) | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-17 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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1GI6
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![BU of 1gi6 by Molmil](/molmil-images/mine/1gi6) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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8DSC
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![BU of 8dsc by Molmil](/molmil-images/mine/8dsc) | Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R | Descriptor: | (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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1GI1
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![BU of 1gi1 by Molmil](/molmil-images/mine/1gi1) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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8DSH
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![BU of 8dsh by Molmil](/molmil-images/mine/8dsh) | Human NAMPT in complex with quercitrin and AMPcP | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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