4Y8Q
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6TGG
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![BU of 6tgg by Molmil](/molmil-images/mine/6tgg) | scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | Descriptor: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | Authors: | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2019-11-15 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment. Chem Sci, 11, 2020
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4Z1L
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![BU of 4z1l by Molmil](/molmil-images/mine/4z1l) | Yeast 20S proteasome in complex with belactosin C derivative 3 | Descriptor: | (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-03-27 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Minimal beta-Lactone Fragment for Selective beta 5c or beta 5i Proteasome Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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6RS4
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![BU of 6rs4 by Molmil](/molmil-images/mine/6rs4) | Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | Descriptor: | 1,2-ETHANEDIOL, Tabersonine synthase | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-21 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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6S6H
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![BU of 6s6h by Molmil](/molmil-images/mine/6s6h) | Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site | Descriptor: | Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K. | Deposit date: | 2019-07-03 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
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4YLR
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![BU of 4ylr by Molmil](/molmil-images/mine/4ylr) | Tubulin Glutamylase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Tubulin polyglutamylase TTLL7 | Authors: | Garnham, C.P, Vemu, A, Wilson-Kubalek, E.M, Yu, I, Szyk, A, Lander, G.C, Milligan, R.A, Roll-Mecak, A. | Deposit date: | 2015-03-05 | Release date: | 2015-06-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Multivalent Microtubule Recognition by Tubulin Tyrosine Ligase-like Family Glutamylases. Cell, 161, 2015
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6TTJ
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![BU of 6ttj by Molmil](/molmil-images/mine/6ttj) | Neutral invertase 2 from Arabidopsis thaliana | Descriptor: | Alkaline/neutral invertase CINV1 | Authors: | Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V. | Deposit date: | 2019-12-27 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.392 Å) | Cite: | Crystal structure of Arabidopsis thaliana neutral invertase 2. Acta Crystallogr.,Sect.F, 76, 2020
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4YA3
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4R4I
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![BU of 4r4i by Molmil](/molmil-images/mine/4r4i) | Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4R4O
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![BU of 4r4o by Molmil](/molmil-images/mine/4r4o) | Crystal structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)benzyl)carbamothioyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4R4T
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![BU of 4r4t by Molmil](/molmil-images/mine/4r4t) | Crystal Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)phenylthioamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4Y82
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![BU of 4y82 by Molmil](/molmil-images/mine/4y82) | Yeast 20S proteasome in complex with Ac-LAY-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAY-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y8S
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4Y8I
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![BU of 4y8i by Molmil](/molmil-images/mine/4y8i) | Yeast 20S proteasome in complex with Ac-PLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PLL-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4Y8R
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![BU of 4y8r by Molmil](/molmil-images/mine/4y8r) | Yeast 20S proteasome beta2-H116D mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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4YA9
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8BN6
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![BU of 8bn6 by Molmil](/molmil-images/mine/8bn6) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2022-11-12 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus . J.Med.Chem., 66, 2023
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8BWB
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![BU of 8bwb by Molmil](/molmil-images/mine/8bwb) | Spider toxin Pha1b (PnTx3-6) from Phoneutria nigriventer targeting CaV2.x calcium channels and TRPA1 channel | Descriptor: | Omega-ctenitoxin-Pn4a | Authors: | Mironov, P.A, Chernaya, E.M, Paramonov, A.S, Shenkarev, Z.O. | Deposit date: | 2022-12-06 | Release date: | 2023-06-21 | Last modified: | 2023-07-05 | Method: | SOLUTION NMR | Cite: | Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Ph alpha 1 beta Toxin, a TRPA1 Modulator from the Brazilian Armed Spider Phoneutria nigriventer . Toxins, 15, 2023
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8BWJ
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8BWZ
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8BX4
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![BU of 8bx4 by Molmil](/molmil-images/mine/8bx4) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392) | Descriptor: | 14-3-3 protein sigma, 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-07 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BX3
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![BU of 8bx3 by Molmil](/molmil-images/mine/8bx3) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372) | Descriptor: | 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-07 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BXI
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![BU of 8bxi by Molmil](/molmil-images/mine/8bxi) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-08 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BWX
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![BU of 8bwx by Molmil](/molmil-images/mine/8bwx) | Fragment-linked stabilizer for 14-3-3 and ERa (1075298) | Descriptor: | 14-3-3 protein sigma, 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide, ERalpha peptide | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-12-07 | Release date: | 2023-08-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BX0
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