8X72
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![BU of 8x72 by Molmil](/molmil-images/mine/8x72) | The Crystal Structure of PLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B. | Deposit date: | 2023-11-22 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of PLK1 from Biortus. To Be Published
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9EYR
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![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2024-04-09 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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8XB9
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![BU of 8xb9 by Molmil](/molmil-images/mine/8xb9) | The Crystal Structure of polo-box domain of PLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1 | Authors: | Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B. | Deposit date: | 2023-12-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of polo-box domain of PLK1 from Biortus To Be Published
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8X2T
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9EY6
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![BU of 9ey6 by Molmil](/molmil-images/mine/9ey6) | Crystal structure of human tyrosinase-related protein 1 (TYRP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | Authors: | Ng, Y.M, Soler-Lopez, M. | Deposit date: | 2024-04-09 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies. Chembiochem, 25, 2024
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8VVO
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![BU of 8vvo by Molmil](/molmil-images/mine/8vvo) | Structure of FabS1CE2-EPR1-1 in complex with the erythropoietin receptor | Descriptor: | CHLORIDE ION, Erythropoietin receptor, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ... | Authors: | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | Deposit date: | 2024-01-31 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones. Protein Sci., 33, 2024
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8XFY
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![BU of 8xfy by Molmil](/molmil-images/mine/8xfy) | The Crystal Structure of RSK2 from Biortus. | Descriptor: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3 | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | Deposit date: | 2023-12-14 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Crystal Structure of RSK2 from Biortus. To Be Published
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8ZWV
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![BU of 8zwv by Molmil](/molmil-images/mine/8zwv) | The Crystal Structure of carbonic anhydrase II from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C. | Deposit date: | 2024-06-13 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of carbonic anhydrase II from Biortus. To Be Published
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8WF5
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![BU of 8wf5 by Molmil](/molmil-images/mine/8wf5) | Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2)) | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ... | Authors: | Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T. | Deposit date: | 2023-09-19 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity. Angew.Chem.Int.Ed.Engl., 2024
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9F40
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![BU of 9f40 by Molmil](/molmil-images/mine/9f40) | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | Descriptor: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein To Be Published
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8X2A
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![BU of 8x2a by Molmil](/molmil-images/mine/8x2a) | The Crystal Structure of BMX from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Crystal Structure of BMX from Biortus. To Be Published
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9F4L
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![BU of 9f4l by Molmil](/molmil-images/mine/9f4l) | UP1 in complex with Z104584152 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N,N-dimethyl-N~2~-phenylglycinamide | 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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8X5K
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![BU of 8x5k by Molmil](/molmil-images/mine/8x5k) | The Crystal Structure of SYK from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of SYK from Biortus. To Be Published
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9F4H
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![BU of 9f4h by Molmil](/molmil-images/mine/9f4h) | UP1 in complex with Z106579662 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | 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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9ATI
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![BU of 9ati by Molmil](/molmil-images/mine/9ati) | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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8YJ7
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![BU of 8yj7 by Molmil](/molmil-images/mine/8yj7) | Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA | Descriptor: | Iron ABC transporter substrate-binding lipoprotein MtsA, ZINC ION, scFv13 | Authors: | Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K. | Deposit date: | 2024-03-01 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA. Protein Sci., 33, 2024
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9F4N
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![BU of 9f4n by Molmil](/molmil-images/mine/9f4n) | UP1 in complex with Z137811222 | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, 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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7Q5B
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![BU of 7q5b by Molmil](/molmil-images/mine/7q5b) | Cryo-EM structure of Ty3 retrotransposon targeting a TFIIIB-bound tRNA gene | Descriptor: | DNA (19-MER), DNA (31-MER), DNA (34-MER), ... | Authors: | Abascal-Palacios, G, Jochem, L, Pla-Prats, C, Beuron, F, Vannini, A. | Deposit date: | 2021-11-03 | Release date: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis of Ty3 retrotransposon integration at RNA Polymerase III-transcribed genes. Nat Commun, 12, 2021
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6UQK
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![BU of 6uqk by Molmil](/molmil-images/mine/6uqk) | Cryo-EM structure of type 3 IP3 receptor revealing presence of a self-binding peptide | Descriptor: | ZINC ION, inositol 1,4,5-triphosphate receptor, type 3 | Authors: | Azumaya, C.M, Linton, E.A, Risener, C.J, Nakagawa, T, Karakas, E. | Deposit date: | 2019-10-20 | Release date: | 2020-01-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Cryo-EM structure of human type-3 inositol triphosphate receptor reveals the presence of a self-binding peptide that acts as an antagonist. J.Biol.Chem., 295, 2020
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9F4M
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![BU of 9f4m by Molmil](/molmil-images/mine/9f4m) | UP1 in complex with Z1401276297 | Descriptor: | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.39 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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9F3X
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9AT0
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![BU of 9at0 by Molmil](/molmil-images/mine/9at0) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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9F55
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![BU of 9f55 by Molmil](/molmil-images/mine/9f55) | UP1 in complex with Z235361315 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 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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8ZM1
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![BU of 8zm1 by Molmil](/molmil-images/mine/8zm1) | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | Descriptor: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-22 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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8XBD
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![BU of 8xbd by Molmil](/molmil-images/mine/8xbd) | |