5BXN
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![BU of 5bxn by Molmil](/molmil-images/mine/5bxn) | Yeast 20S proteasome beta2-G170A mutant in complex with Bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-06-09 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defective immuno- and thymoproteasome assembly causes severe immunodeficiency. Sci Rep, 8, 2018
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6J6Y
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![BU of 6j6y by Molmil](/molmil-images/mine/6j6y) | FGFR4 D2 - Fab complex | Descriptor: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2019-01-16 | Release date: | 2019-08-07 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity. Mol.Cancer Ther., 18, 2019
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6TCZ
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![BU of 6tcz by Molmil](/molmil-images/mine/6tcz) | Leishmania tarentolae proteasome 20S subunit complexed with LXE408 | Descriptor: | Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ... | Authors: | Srinivas, H. | Deposit date: | 2019-11-07 | Release date: | 2020-08-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
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6TD5
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![BU of 6td5 by Molmil](/molmil-images/mine/6td5) | Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Srinivas, H. | Deposit date: | 2019-11-07 | Release date: | 2020-08-26 | Last modified: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
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8AYF
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![BU of 8ayf by Molmil](/molmil-images/mine/8ayf) | Crystal structure of human Sphingosine-1-phosphate lyase 1 | Descriptor: | ACETATE ION, GLYCEROL, Sphingosine-1-phosphate lyase 1 | Authors: | Giardina, G, Catalano, F, Pampalone, G, Cellini, B. | Deposit date: | 2022-09-02 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study. Sci Rep, 13, 2023
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6XYT
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![BU of 6xyt by Molmil](/molmil-images/mine/6xyt) | Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-01-31 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6XF4
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![BU of 6xf4 by Molmil](/molmil-images/mine/6xf4) | Crystal structure of STING REF variant in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
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![BU of 6xf3 by Molmil](/molmil-images/mine/6xf3) | Crystal structure of STING in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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4TS6
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![BU of 4ts6 by Molmil](/molmil-images/mine/4ts6) | |
6YC0
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![BU of 6yc0 by Molmil](/molmil-images/mine/6yc0) | Crystal structure of the steady-state-SMX activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6YC2
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![BU of 6yc2 by Molmil](/molmil-images/mine/6yc2) | Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ... | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | Deposit date: | 2020-03-18 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of light-driven sodium pumping. Nat Commun, 11, 2020
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6EYU
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![BU of 6eyu by Molmil](/molmil-images/mine/6eyu) | Crystal structure of the inward H(+) pump xenorhodopsin | Descriptor: | Bacteriorhodopsin, EICOSANE, RETINAL, ... | Authors: | Kovalev, K, Shevchenko, V, Polovinkin, V, Mager, T, Gushchin, I, Melnikov, I, Borshchevskiy, V, Popov, A, Alekseev, A, Gordeliy, V. | Deposit date: | 2017-11-13 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach. Sci Adv, 3, 2017
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6J9J
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![BU of 6j9j by Molmil](/molmil-images/mine/6j9j) | |
7PRL
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![BU of 7prl by Molmil](/molmil-images/mine/7prl) | MUC2 D1 with Cu(II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | Authors: | Reznik, N, Fass, D. | Deposit date: | 2021-09-22 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Intestinal mucin is a chaperone of multivalent copper. Cell, 185, 2022
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5V7U
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![BU of 5v7u by Molmil](/molmil-images/mine/5v7u) | |
2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/2hhn) | Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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5V7R
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![BU of 5v7r by Molmil](/molmil-images/mine/5v7r) | |
5W1M
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![BU of 5w1m by Molmil](/molmil-images/mine/5w1m) | MACV GP1 CR1-07 Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR1-07 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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8R7D
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![BU of 8r7d by Molmil](/molmil-images/mine/8r7d) | |
8R7A
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![BU of 8r7a by Molmil](/molmil-images/mine/8r7a) | |
8AG0
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![BU of 8ag0 by Molmil](/molmil-images/mine/8ag0) | Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3A, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Milara, X, Perez-Dorado, J.I, Matthews, S.J. | Deposit date: | 2022-07-18 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing. Biochim Biophys Acta Proteins Proteom, 1871, 2022
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5W1K
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![BU of 5w1k by Molmil](/molmil-images/mine/5w1k) | JUNV GP1 CR1-10 Fab CR1-28 Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR1-10 Fab heavy chain, ... | Authors: | Raymond, D.D, Clark, L.E, Abraham, J. | Deposit date: | 2017-06-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.99 Å) | Cite: | Vaccine-elicited receptor-binding site antibodies neutralize two New World hemorrhagic fever arenaviruses. Nat Commun, 9, 2018
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8QLE
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![BU of 8qle by Molmil](/molmil-images/mine/8qle) | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 4.6 | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | Deposit date: | 2023-09-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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8QLF
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![BU of 8qlf by Molmil](/molmil-images/mine/8qlf) | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8 | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | Deposit date: | 2023-09-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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8QQZ
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![BU of 8qqz by Molmil](/molmil-images/mine/8qqz) | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 8.0 | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | Deposit date: | 2023-10-06 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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