6TQB
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![BU of 6tqb by Molmil](/molmil-images/mine/6tqb) | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | Deposit date: | 2019-12-16 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin. Nucleic Acids Res., 48, 2020
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6FUJ
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![BU of 6fuj by Molmil](/molmil-images/mine/6fuj) | Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide | Descriptor: | Complement factor D, ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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5LWK
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![BU of 5lwk by Molmil](/molmil-images/mine/5lwk) | MaeR response regulator bound to beryllium trifluoride | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Transcriptional regulatory protein | Authors: | Miguel-Romero, L, Casino, P, Landete, J.M, Monedero, V, Zuniga, M, Marina, A. | Deposit date: | 2016-09-18 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates. Sci Rep, 7, 2017
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5LT3
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6FUI
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![BU of 6fui by Molmil](/molmil-images/mine/6fui) | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | Descriptor: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | Deposit date: | 2018-02-27 | Release date: | 2018-06-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
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6TH4
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![BU of 6th4 by Molmil](/molmil-images/mine/6th4) | Tubulin-inhibitor complex | Descriptor: | 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Varela, P.F, Gigant, B. | Deposit date: | 2019-11-18 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner Acs Omega, 7, 2022
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8W86
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![BU of 8w86 by Molmil](/molmil-images/mine/8w86) | HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.236 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W85
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![BU of 8w85 by Molmil](/molmil-images/mine/8w85) | HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.769 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W84
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![BU of 8w84 by Molmil](/molmil-images/mine/8w84) | HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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8W83
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![BU of 8w83 by Molmil](/molmil-images/mine/8w83) | HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ... | Authors: | Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T. | Deposit date: | 2023-08-31 | Release date: | 2023-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease. Nat Commun, 14, 2023
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6H51
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![BU of 6h51 by Molmil](/molmil-images/mine/6h51) | Crystal structure of human KDM5B in complex with compound 34f | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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7UBF
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7UBD
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7UBI
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7UCP
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![BU of 7ucp by Molmil](/molmil-images/mine/7ucp) | computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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6QN3
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![BU of 6qn3 by Molmil](/molmil-images/mine/6qn3) | Structure of the Glutamine II Riboswitch | Descriptor: | BROMIDE ION, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2019-02-08 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and ligand binding of the glutamine-II riboswitch. Nucleic Acids Res., 47, 2019
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7UZL
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7UBC
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7UBE
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7UBG
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7UBH
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5V7V
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![BU of 5v7v by Molmil](/molmil-images/mine/5v7v) | Cryo-EM structure of ERAD-associated E3 ubiquitin-protein ligase component HRD3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ERAD-associated E3 ubiquitin-protein ligase component HRD3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Mi, W, Schoebel, S, Stein, A, Rapoport, T.A, Liao, M. | Deposit date: | 2017-03-20 | Release date: | 2017-08-16 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3. Nature, 548, 2017
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1HAB
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![BU of 1hab by Molmil](/molmil-images/mine/1hab) | CROSSLINKED HAEMOGLOBIN | Descriptor: | 4-CARBOXYCINNAMIC ACID, CARBON MONOXIDE, HEMOGLOBIN A, ... | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | Deposit date: | 1996-03-13 | Release date: | 1997-11-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allosteric intermediates indicate R2 is the liganded hemoglobin end state. Proc.Natl.Acad.Sci.USA, 94, 1997
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6ONO
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![BU of 6ono by Molmil](/molmil-images/mine/6ono) | Complex structure of WhiB1 and region 4 of SigA in C2221 space group | Descriptor: | DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ... | Authors: | Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M. | Deposit date: | 2019-04-22 | Release date: | 2019-11-27 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis. Nucleic Acids Res., 48, 2020
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8AY2
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![BU of 8ay2 by Molmil](/molmil-images/mine/8ay2) | |