6QAQ
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![BU of 6qaq by Molmil](/molmil-images/mine/6qaq) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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8CYX
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![BU of 8cyx by Molmil](/molmil-images/mine/8cyx) | CryoEM structure of amplified alpha-synuclein fibril class A type I with compact core from DLB case III | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6ZS2
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![BU of 6zs2 by Molmil](/molmil-images/mine/6zs2) | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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7OC6
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![BU of 7oc6 by Molmil](/molmil-images/mine/7oc6) | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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6QAL
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![BU of 6qal by Molmil](/molmil-images/mine/6qal) | ERK2 mini-fragment binding | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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6QBL
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![BU of 6qbl by Molmil](/molmil-images/mine/6qbl) | |
8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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7O9J
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![BU of 7o9j by Molmil](/molmil-images/mine/7o9j) | Crystal structure of DyP-type peroxidase from Dictyostelium discoideum in complex with an activated form of oxygen | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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7O9L
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![BU of 7o9l by Molmil](/molmil-images/mine/7o9l) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide. | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, DyPA, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8DGE
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![BU of 8dge by Molmil](/molmil-images/mine/8dge) | BoGH13ASus from Bacteroides ovatus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Alpha amylase, ... | Authors: | Brown, H.A, DeVeaux, A.L, Koropatkin, N.M. | Deposit date: | 2022-06-23 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut. Cell.Mol.Life Sci., 80, 2023
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8CYY
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![BU of 8cyy by Molmil](/molmil-images/mine/8cyy) | CryoEM structure of amplified alpha-synuclein fibril class B mixed type I/II with extended core from DLB case V | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6NQZ
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![BU of 6nqz by Molmil](/molmil-images/mine/6nqz) | Flagellar protein FcpB from Leptospira interrogans | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Flagellar coiling protein B, GLYCEROL, ... | Authors: | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | Deposit date: | 2019-01-22 | Release date: | 2020-01-29 | Last modified: | 2020-03-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete. Elife, 9, 2020
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7QG9
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![BU of 7qg9 by Molmil](/molmil-images/mine/7qg9) | Tail tip of siphophage T5 : common core proteins | Descriptor: | Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ... | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2021-12-07 | Release date: | 2022-12-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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6QL5
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![BU of 6ql5 by Molmil](/molmil-images/mine/6ql5) | Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 2.8 angstrom | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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6PSV
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![BU of 6psv by Molmil](/molmil-images/mine/6psv) | Escherichia coli RNA polymerase promoter unwinding intermediate (TpreRPo) with TraR and rpsT P2 promoter | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2019-07-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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8CZ0
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![BU of 8cz0 by Molmil](/molmil-images/mine/8cz0) | CryoEM structure of amplified alpha-synuclein fibril class B type I with extended core from DLB case VII | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6NS4
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![BU of 6ns4 by Molmil](/molmil-images/mine/6ns4) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. C2 crystal form. | Descriptor: | ACETATE ION, FE (II) ION, GLYCEROL, ... | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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7OND
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![BU of 7ond by Molmil](/molmil-images/mine/7ond) | |
8CYW
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![BU of 8cyw by Molmil](/molmil-images/mine/8cyw) | CryoEM structures of amplified alpha-synuclein fibril class B type I with compact core from DLB case III | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CYT
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![BU of 8cyt by Molmil](/molmil-images/mine/8cyt) | CryoEM structures of amplified alpha-synuclein fibril class A type I with extended core from DLB case I | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6PST
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![BU of 6pst by Molmil](/molmil-images/mine/6pst) | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1.5b) with TraR and mutant rpsT P2 promoter | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2019-07-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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8CZ1
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![BU of 8cz1 by Molmil](/molmil-images/mine/8cz1) | CryoEM structure of amplified alpha-synuclein fibril class B type II with extended core from DLB case VII | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8FKX
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![BU of 8fkx by Molmil](/molmil-images/mine/8fkx) | |
8CZ3
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![BU of 8cz3 by Molmil](/molmil-images/mine/8cz3) | CryoEM structure of amplified alpha-synuclein fibril class B type I with extended core from DLB case X | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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