8A0F
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![BU of 8a0f by Molmil](/molmil-images/mine/8a0f) | Crystal structure of human deoxyhypusine synthase variant K329A in complex with NAD and SPD | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Deoxyhypusine synthase, ... | Authors: | Wator, E, Wilk, P, Grudnik, P. | Deposit date: | 2022-05-27 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. Nat Commun, 14, 2023
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6STS
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![BU of 6sts by Molmil](/molmil-images/mine/6sts) | Human myelin protein P2 mutant R30Q | Descriptor: | Myelin P2 protein, PALMITIC ACID, SULFATE ION | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | Deposit date: | 2019-09-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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6FFT
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![BU of 6fft by Molmil](/molmil-images/mine/6fft) | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2018-01-09 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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5MQW
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![BU of 5mqw by Molmil](/molmil-images/mine/5mqw) | High-speed fixed-target serial virus crystallography | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | Deposit date: | 2016-12-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-speed fixed-target serial virus crystallography. Nat. Methods, 14, 2017
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7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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6FI9
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5FTM
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![BU of 5ftm by Molmil](/molmil-images/mine/5ftm) | Cryo-EM structure of human p97 bound to ATPgS (Conformation II) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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6EU0
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![BU of 6eu0 by Molmil](/molmil-images/mine/6eu0) | RNA Polymerase III open pre-initiation complex (OC-PIC) | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Abascal-Palacios, G, Ramsay, E.P, Beuron, F, Morris, E, Vannini, A. | Deposit date: | 2017-10-27 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of RNA polymerase III transcription initiation. Nature, 553, 2018
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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7PJM
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![BU of 7pjm by Molmil](/molmil-images/mine/7pjm) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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7JJE
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7OCC
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![BU of 7occ by Molmil](/molmil-images/mine/7occ) | NTD of resting state GluA1/A2 heterotertramer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 1, ... | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | Deposit date: | 2021-04-26 | Release date: | 2021-06-09 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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5M2O
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![BU of 5m2o by Molmil](/molmil-images/mine/5m2o) | R. flavefaciens' third ScaB cohesin in complex with a group 1 dockerin | Descriptor: | CALCIUM ION, Group I Dockerin, Putative cellulosomal scaffoldin protein | Authors: | Bule, P, Najmudin, S, Carvalho, A.L, Fontes, C.M.G.A. | Deposit date: | 2016-10-13 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Assembly of Ruminococcus flavefaciens cellulosome revealed by structures of two cohesin-dockerin complexes. Sci Rep, 7, 2017
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5EDJ
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![BU of 5edj by Molmil](/molmil-images/mine/5edj) | Crystal structure of the Neisseria meningitidis iron-regulated outer membrane lipoprotein FrpD | Descriptor: | FrpC operon protein | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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7ZKE
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![BU of 7zke by Molmil](/molmil-images/mine/7zke) | Mot1:TBP:DNA - pre-hydrolysis state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (36-MER), ... | Authors: | Woike, S, Eustermann, S, Jung, J, Wenzl, S.J, Hagemann, G, Bartho, J.D, Lammens, K, Butryn, A, Herzog, F, Hopfner, K.-P. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for TBP displacement from TATA box DNA by the Swi2/Snf2 ATPase Mot1. Nat.Struct.Mol.Biol., 30, 2023
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7PQI
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![BU of 7pqi by Molmil](/molmil-images/mine/7pqi) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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6EY6
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3J6B
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![BU of 3j6b by Molmil](/molmil-images/mine/3j6b) | Structure of the yeast mitochondrial large ribosomal subunit | Descriptor: | 21S ribosomal RNA, 54S ribosomal protein IMG1, mitochondrial, ... | Authors: | Amunts, A, Brown, A, Bai, X.C, Llacer, J.L, Hussain, T, Emsley, P, Long, F, Murshudov, G, Scheres, S.H.W, Ramakrishnan, V. | Deposit date: | 2014-01-22 | Release date: | 2014-04-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the yeast mitochondrial large ribosomal subunit. Science, 343, 2014
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5M26
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![BU of 5m26 by Molmil](/molmil-images/mine/5m26) | Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 in complex with methylhydroquinone | Descriptor: | 2-methylbenzene-1,4-diol, FE (III) ION, Hydroquinone dioxygenase large subunit, ... | Authors: | Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X. | Deposit date: | 2016-10-12 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes. Biochim. Biophys. Acta, 1865, 2017
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7ZLL
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![BU of 7zll by Molmil](/molmil-images/mine/7zll) | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(morpholin-4-ylmethyl)quinolin-8-ol, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Kantsadi, A.L, Chandran, A.V. | Deposit date: | 2022-04-15 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint. Iscience, 26, 2023
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7ZSQ
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![BU of 7zsq by Molmil](/molmil-images/mine/7zsq) | human purine nucleoside phosphorylase in complex with JS-555 | Descriptor: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-08 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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8A4O
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![BU of 8a4o by Molmil](/molmil-images/mine/8a4o) | |
5EGW
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7ZSR
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![BU of 7zsr by Molmil](/molmil-images/mine/7zsr) | purine nucleoside phosphorylase in complex with JS-379 | Descriptor: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-08 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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