9F4J
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![BU of 9f4j by Molmil](/molmil-images/mine/9f4j) | UP1 in complex with Z416341642 | Descriptor: | (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8Z10
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![BU of 8z10 by Molmil](/molmil-images/mine/8z10) | Human beta-catenin crystal structure | Descriptor: | Catenin beta-1, PROLINE | Authors: | Tim, F. | Deposit date: | 2024-04-10 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of Beta-catenin To Be Published
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8ZM6
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![BU of 8zm6 by Molmil](/molmil-images/mine/8zm6) | |
9F4Q
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![BU of 9f4q by Molmil](/molmil-images/mine/9f4q) | UP1 in complex with Z641239276 | Descriptor: | 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9BKO
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![BU of 9bko by Molmil](/molmil-images/mine/9bko) | DHODH in complex with Ligand 26 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9EO4
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![BU of 9eo4 by Molmil](/molmil-images/mine/9eo4) | Outward-open structure of human dopamine transporter bound to cocaine | Descriptor: | CHLORIDE ION, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nielsen, J.C, Salomon, K, Kalenderoglou, I.E, Bargmeyer, S, Pape, T, Shahsavar, A, Loland, C.J. | Deposit date: | 2024-03-14 | Release date: | 2024-07-03 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structure of the human dopamine transporter in complex with cocaine Nature, 2024
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6DFA
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![BU of 6dfa by Molmil](/molmil-images/mine/6dfa) | Kaiso (ZBTB33) E535A zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS) | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | Authors: | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | Deposit date: | 2018-05-14 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences. Biochemistry, 2020
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9F4X
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![BU of 9f4x by Molmil](/molmil-images/mine/9f4x) | UP1 in complex with Z1220452176 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8XUV
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![BU of 8xuv by Molmil](/molmil-images/mine/8xuv) | Cryo-EM structure of tomato NRC2 filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2 | Authors: | Sun, Y, Ma, S.C, Chai, J.J. | Deposit date: | 2024-01-14 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR. Nature, 2024
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9F9L
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![BU of 9f9l by Molmil](/molmil-images/mine/9f9l) | Crystal structure of MUS81-EME1 bound by compound 16. | Descriptor: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F5C
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![BU of 9f5c by Molmil](/molmil-images/mine/9f5c) | UP1 in complex with Z198195770 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-[3-(carbamoylamino)phenyl]acetamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8Y90
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![BU of 8y90 by Molmil](/molmil-images/mine/8y90) | Structure of NET-Nefopam in outward-open state | Descriptor: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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9C0O
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9C8S
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![BU of 9c8s by Molmil](/molmil-images/mine/9c8s) | |
9C8R
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![BU of 9c8r by Molmil](/molmil-images/mine/9c8r) | |
9FEE
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![BU of 9fee by Molmil](/molmil-images/mine/9fee) | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase | Descriptor: | malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase To Be Published
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8Y92
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![BU of 8y92 by Molmil](/molmil-images/mine/8y92) | structure of NET-Atomoxetine in outward-open state | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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9BV0
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![BU of 9bv0 by Molmil](/molmil-images/mine/9bv0) | |
9F98
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![BU of 9f98 by Molmil](/molmil-images/mine/9f98) | Crystal structure of MUS81-EME1, apo form. | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9BJL
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9BKZ
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9F52
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![BU of 9f52 by Molmil](/molmil-images/mine/9f52) | UP1 in complex with Z734147462 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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8Y93
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![BU of 8y93 by Molmil](/molmil-images/mine/8y93) | Structure of NET-Amitriptyline in outward-open state | Descriptor: | Amitriptyline, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Z77
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![BU of 8z77 by Molmil](/molmil-images/mine/8z77) | The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 and Na ascorbate during 12 hours | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Twin-arginine translocation signal domain-containing protein | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Minyaev, M.E, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2024-04-19 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 and Na ascorbate during 12 hours To Be Published
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