6Z1A
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![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2020-05-13 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
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3AZ7
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![BU of 3az7 by Molmil](/molmil-images/mine/3az7) | Crystal structure of Pt/T-HEWL | Descriptor: | Lysozyme C, PLATINUM (II) ION, SODIUM ION | Authors: | Abe, S, Tsujimoto, M, Yoneda, K, Ohba, M, Hikage, T, Takano, M, Kitagawa, S, Ueno, T. | Deposit date: | 2011-05-20 | Release date: | 2012-05-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Porous protein crystals as reaction vessels for controlling magnetic properties of nanoparticles Small, 8, 2012
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5ZEA
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![BU of 5zea by Molmil](/molmil-images/mine/5zea) | Crystal structure of the nucleotide-free mutant A3B3 | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | Deposit date: | 2018-02-27 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.384 Å) | Cite: | Metastable asymmetrical structure of a shaftless V1motor. Sci Adv, 5, 2019
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5ZH2
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![BU of 5zh2 by Molmil](/molmil-images/mine/5zh2) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5HD4
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![BU of 5hd4 by Molmil](/molmil-images/mine/5hd4) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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5HFA
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![BU of 5hfa by Molmil](/molmil-images/mine/5hfa) | Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM | Descriptor: | 1,2-ETHANEDIOL, 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: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | Deposit date: | 2016-01-06 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface. Proteins, 84, 2016
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5ZKE
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![BU of 5zke by Molmil](/molmil-images/mine/5zke) | Crystal Structure of N-terminal Domain of Plasmodium vivax p43 in space group P212121 | Descriptor: | Aminoacyl tRNA Synthetase Complex-Interacting Multifunctional Protein p43 | Authors: | Gupta, S, Sharma, M, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-23 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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4UEU
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![BU of 4ueu by Molmil](/molmil-images/mine/4ueu) | Tyrosine kinase AS - a common ancestor of Src and Abl | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | Deposit date: | 2014-12-18 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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5ZN3
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![BU of 5zn3 by Molmil](/molmil-images/mine/5zn3) | X-ray structure of protein kinase ck2 alpha subunit H148S mutant | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | Deposit date: | 2018-04-07 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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6XFJ
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![BU of 6xfj by Molmil](/molmil-images/mine/6xfj) | Crystal structure of the type III secretion pilotin InvH | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | Deposit date: | 2020-06-15 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods. Structure, 29, 2021
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3BER
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![BU of 3ber by Molmil](/molmil-images/mine/3ber) | Human DEAD-box RNA-helicase DDX47, conserved domain I in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Probable ATP-dependent RNA helicase DDX47, ... | Authors: | Karlberg, T, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-20 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases. Plos One, 5, 2010
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6XFM
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![BU of 6xfm by Molmil](/molmil-images/mine/6xfm) | Molecular structure of the core of amyloid-like fibrils formed by residues 111-214 of FUS | Descriptor: | RNA-binding protein FUS | Authors: | Tycko, R, Lee, M, Ghosh, U, Thurber, K, Kato, M. | Deposit date: | 2020-06-15 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Molecular structure and interactions within amyloid-like fibrils formed by a low-complexity protein sequence from FUS. Nat Commun, 11, 2020
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5HIM
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![BU of 5him by Molmil](/molmil-images/mine/5him) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and dimethylglycine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, N,N-DIMETHYLGLYCINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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5ZKF
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![BU of 5zkf by Molmil](/molmil-images/mine/5zkf) | Crystal Structure of N-terminal Domain of Plasmodium vivax p43 in space group P21 | Descriptor: | Aminoacyl tRNA Synthetase Complex-Interacting Multifunctional Protein p43 | Authors: | Gupta, S, Sharma, M, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-23 | Release date: | 2019-04-24 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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5ZN2
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![BU of 5zn2 by Molmil](/molmil-images/mine/5zn2) | X-ray structure of protein kinase ck2 alpha subunit H148A mutant | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | Deposit date: | 2018-04-07 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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8SWI
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![BU of 8swi by Molmil](/molmil-images/mine/8swi) | |
6XKM
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![BU of 6xkm by Molmil](/molmil-images/mine/6xkm) | Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, Non-structural protein 10, ... | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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4NRU
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![BU of 4nru by Molmil](/molmil-images/mine/4nru) | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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6XLQ
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![BU of 6xlq by Molmil](/molmil-images/mine/6xlq) | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab | Descriptor: | Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain | Authors: | Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells. Science, 369, 2020
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7P5T
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![BU of 7p5t by Molmil](/molmil-images/mine/7p5t) | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 | Descriptor: | BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A. | Deposit date: | 2021-07-14 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 To Be Published
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6BMM
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![BU of 6bmm by Molmil](/molmil-images/mine/6bmm) | Structure of human DHHC20 palmitoyltransferase, space group P21 | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,5S)-hexane-2,5-diol, PHOSPHATE ION, ... | Authors: | Rana, M.S, Lee, C.-J, Banerjee, A. | Deposit date: | 2017-11-15 | Release date: | 2018-01-24 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase. Science, 359, 2018
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6Z5N
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![BU of 6z5n by Molmil](/molmil-images/mine/6z5n) | DnaJB1 JD-GF | Descriptor: | DnaJ homolog subfamily B member 1 | Authors: | Avraham-Abayev, M, London, N, Rosenzweig, R. | Deposit date: | 2020-05-27 | Release date: | 2020-11-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | HSP40 proteins use class-specific regulation to drive HSP70 functional diversity. Nature, 587, 2020
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8RC1
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![BU of 8rc1 by Molmil](/molmil-images/mine/8rc1) | |
8QUD
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![BU of 8qud by Molmil](/molmil-images/mine/8qud) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5 | Descriptor: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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8RGH
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![BU of 8rgh by Molmil](/molmil-images/mine/8rgh) | Structure of dynein-2 intermediate chain DYNC2I1 (WDR60) in complex with the dynein-2 heavy chain DYNC2H1. | Descriptor: | Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Cytoplasmic dynein 2 light intermediate chain 1, ... | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | Deposit date: | 2023-12-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport. Embo J., 43, 2024
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