6LQ0
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6MFK
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6LKA
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![BU of 6lka by Molmil](/molmil-images/mine/6lka) | Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds | Descriptor: | 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H. | Deposit date: | 2019-12-18 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent. Bioorg.Med.Chem., 28, 2020
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6LL2
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4WE0
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![BU of 4we0 by Molmil](/molmil-images/mine/4we0) | JC Polyomavirus VP1 five-fold pore mutant P223M | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-09-09 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins. J.Virol., 89, 2015
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6LXM
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![BU of 6lxm by Molmil](/molmil-images/mine/6lxm) | Crystal structure of C-terminal DNA-binding domain of Escherichia coli OmpR as a domain-swapped dimer | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Sadotra, S, Chen, C, Hsu, C.H. | Deposit date: | 2020-02-11 | Release date: | 2020-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | Structural basis for promoter DNA recognition by the response regulator OmpR. J.Struct.Biol., 213, 2020
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6LXO
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![BU of 6lxo by Molmil](/molmil-images/mine/6lxo) | TvCyP2 in apo form 1 | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase, SULFATE ION | Authors: | Aryal, S, Chen, C, Hsu, C.H. | Deposit date: | 2020-02-11 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization. Biomolecules, 10, 2020
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6LXR
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![BU of 6lxr by Molmil](/molmil-images/mine/6lxr) | TvCyP2 in apo form 4 | Descriptor: | Peptidyl-prolyl cis-trans isomerase | Authors: | Aryal, S, Chen, C, Hsu, C.H. | Deposit date: | 2020-02-11 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization. Biomolecules, 10, 2020
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6LNG
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![BU of 6lng by Molmil](/molmil-images/mine/6lng) | Rapid crystallization of streptavidin using charged peptides | Descriptor: | GLYCEROL, Streptavidin | Authors: | Minamihata, K, Tsukamoto, K, Adachi, M, Shimizu, R, Mishina, M, Kuroki, R, Nagamune, T. | Deposit date: | 2019-12-30 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8000015 Å) | Cite: | Genetically fused charged peptides induce rapid crystallization of proteins. Chem.Commun.(Camb.), 56, 2020
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4UXR
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![BU of 4uxr by Molmil](/molmil-images/mine/4uxr) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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6LYD
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![BU of 6lyd by Molmil](/molmil-images/mine/6lyd) | Crystal Structure of mimivirus UNG Y322L in complex with UGI | Descriptor: | Probable uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | Authors: | Pathak, D, Kwon, E, Kim, D.Y. | Deposit date: | 2020-02-14 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Selective interactions between mimivirus uracil-DNA glycosylase and inhibitory proteins determined by a single amino acid. J.Struct.Biol., 211, 2020
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4UY0
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![BU of 4uy0 by Molmil](/molmil-images/mine/4uy0) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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6LNY
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6M2G
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6M37
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6M4B
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4UWH
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![BU of 4uwh by Molmil](/molmil-images/mine/4uwh) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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6LXQ
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![BU of 6lxq by Molmil](/molmil-images/mine/6lxq) | TvCyP2 in apo form 3 | Descriptor: | GLYCEROL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase | Authors: | Aryal, S, Chen, C, Hsu, C.H. | Deposit date: | 2020-02-11 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization. Biomolecules, 10, 2020
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6LYQ
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![BU of 6lyq by Molmil](/molmil-images/mine/6lyq) | Structure of the BAM complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Xiao, L, Huang, Y. | Deposit date: | 2020-02-15 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates. Faseb J., 35, 2021
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6LSN
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![BU of 6lsn by Molmil](/molmil-images/mine/6lsn) | Crystal structure of tubulin-inhibitor complex | Descriptor: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Gang, L, Wang, Y.X, Cheng, J.J. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities To Be Published
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6LTI
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![BU of 6lti by Molmil](/molmil-images/mine/6lti) | HSP90 in complex with NVP-AUY922 | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Cao, H.L. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | HSP90 in complex with NVP-AUY922 To Be Published
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6M36
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7D7S
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7D83
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![BU of 7d83 by Molmil](/molmil-images/mine/7d83) | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | Descriptor: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | Authors: | Sugiyama, S, Sekiguchi, Y. | Deposit date: | 2020-10-07 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond. Bioorg.Med.Chem.Lett., 33, 2020
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6R7S
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![BU of 6r7s by Molmil](/molmil-images/mine/6r7s) | Human Serum Albumin, complexed with Sulfasalazine | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2019-03-29 | Release date: | 2020-04-08 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Resolving Binding Events on the Multifunctional Human Serum Albumin. Chemmedchem, 15, 2020
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