8PS2
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![BU of 8ps2 by Molmil](/molmil-images/mine/8ps2) | Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample) | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-13 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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8PRV
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![BU of 8prv by Molmil](/molmil-images/mine/8prv) | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample) | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-12 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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6C2R
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![BU of 6c2r by Molmil](/molmil-images/mine/6c2r) | Aurora A ligand complex | Descriptor: | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | Deposit date: | 2018-01-08 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
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8PRW
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![BU of 8prw by Molmil](/molmil-images/mine/8prw) | Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COENZYME A, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-12 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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8PS9
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![BU of 8ps9 by Molmil](/molmil-images/mine/8ps9) | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASam sample) | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-13 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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8PS1
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![BU of 8ps1 by Molmil](/molmil-images/mine/8ps1) | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample) | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-13 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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6GGF
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6G8P
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![BU of 6g8p by Molmil](/molmil-images/mine/6g8p) | 14-3-3sigma in complex with a P129beta3P and L132beta3L mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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6TVC
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![BU of 6tvc by Molmil](/molmil-images/mine/6tvc) | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Haemagglutinin HA1, Haemagglutinin HA2 | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-09 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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1H4S
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![BU of 1h4s by Molmil](/molmil-images/mine/1h4s) | Prolyl-tRNA synthetase from Thermus thermophilus complexed with tRNApro(CGG) and a prolyl-adenylate analogue | Descriptor: | '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE, PROLYL-TRNA SYNTHETASE, SULFATE ION, ... | Authors: | Yaremchuk, A, Tukalo, M, Cusack, S. | Deposit date: | 2001-05-14 | Release date: | 2001-06-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase J.Mol.Biol., 309, 2001
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7MIQ
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![BU of 7miq by Molmil](/molmil-images/mine/7miq) | Crystal structure of a Glutathione S-transferase class Gtt2 of Vibrio parahaemolyticus (VpGSTT2) | Descriptor: | DI(HYDROXYETHYL)ETHER, Glutathione S-transferase, SULFATE ION | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A.A, Garcia-Orozco, K.D, Sotelo-Mundo, R.R. | Deposit date: | 2021-04-17 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A Novel Glutathione S -Transferase Gtt2 Class (VpGSTT2) Is Found in the Genome of the AHPND/EMS Vibrio parahaemolyticus Shrimp Pathogen. Toxins, 13, 2021
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5EU5
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![BU of 5eu5 by Molmil](/molmil-images/mine/5eu5) | HLA Class I antigen | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-11-18 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen. J.Biol.Chem., 291, 2016
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7U1A
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![BU of 7u1a by Molmil](/molmil-images/mine/7u1a) | RFC:PCNA bound to dsDNA with a ssDNA gap of six nucleotides | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | Deposit date: | 2022-02-20 | Release date: | 2022-07-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA. Elife, 11, 2022
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7U1P
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![BU of 7u1p by Molmil](/molmil-images/mine/7u1p) | RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | Deposit date: | 2022-02-21 | Release date: | 2022-07-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA. Elife, 11, 2022
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6GNU
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![BU of 6gnu by Molmil](/molmil-images/mine/6gnu) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6GNT
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![BU of 6gnt by Molmil](/molmil-images/mine/6gnt) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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5EAQ
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![BU of 5eaq by Molmil](/molmil-images/mine/5eaq) | |
7M57
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5EAO
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6GZV
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![BU of 6gzv by Molmil](/molmil-images/mine/6gzv) | Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses | Descriptor: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J. | Deposit date: | 2018-07-05 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses. Plos Biol., 17, 2019
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6UJ1
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![BU of 6uj1 by Molmil](/molmil-images/mine/6uj1) | BACE2 mutant in complex with a macrocyclic compound | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-10-02 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors. Acs Chem Neurosci, 12, 2021
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7JNH
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![BU of 7jnh by Molmil](/molmil-images/mine/7jnh) | Crystal structure of a double-ENE RNA stability element in complex with a 28-mer poly(A) RNA | Descriptor: | 28-mer poly(A) RNA, COBALT HEXAMMINE(III), Core double ENE RNA (Xtal construct) from Oryza sativa transposon,Core double ENE RNA (Xtal construct) from Oryza sativa transposon, ... | Authors: | Torabi, S.F, Vaidya, A.T, Tycowski, K.T, DeGregorio, S.J, Wang, J, Shu, M.D, Steitz, T.A, Steitz, J.A. | Deposit date: | 2020-08-04 | Release date: | 2021-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | RNA stabilization by a poly(A) tail 3'-end binding pocket and other modes of poly(A)-RNA interaction. Science, 371, 2021
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5EAI
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![BU of 5eai by Molmil](/molmil-images/mine/5eai) | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | Deposit date: | 2015-10-16 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone. Bmc Struct.Biol., 16, 2016
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5DT3
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![BU of 5dt3 by Molmil](/molmil-images/mine/5dt3) | Aurora A Kinase in Complex with ATP in Space Group P6122 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6RQK
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![BU of 6rqk by Molmil](/molmil-images/mine/6rqk) | Crystal structure of GH125 1,6-alpha-mannosidase from Clostridium perfringens in complex with mannoimidazole | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,6-mannosidase | Authors: | Males, A, Davies, G.J. | Deposit date: | 2019-05-16 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Distortion of mannoimidazole supports a B2,5boat transition state for the family GH125 alpha-1,6-mannosidase from Clostridium perfringens. Org.Biomol.Chem., 17, 2019
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