6DGF
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![BU of 6dgf by Molmil](/molmil-images/mine/6dgf) | Ubiquitin Variant bound to USP2 | Descriptor: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ... | Authors: | Manczyk, N, Sicheri, F. | Deposit date: | 2018-05-17 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases. J. Mol. Biol., 431, 2019
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8B6U
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![BU of 8b6u by Molmil](/molmil-images/mine/8b6u) | Mpf2Ba1 monomer | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | Deposit date: | 2022-09-27 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Structural journey of an insecticidal protein against western corn rootworm. Nat Commun, 14, 2023
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6DGZ
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![BU of 6dgz by Molmil](/molmil-images/mine/6dgz) | Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass6 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DR5
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![BU of 6dr5 by Molmil](/molmil-images/mine/6dr5) | |
6X3R
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![BU of 6x3r by Molmil](/molmil-images/mine/6x3r) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5B1Z
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![BU of 5b1z by Molmil](/molmil-images/mine/5b1z) | |
8BTB
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![BU of 8btb by Molmil](/molmil-images/mine/8btb) | Hexameric human IgG3 Fc complex | Descriptor: | FLJ00385 protein (Fragment) | Authors: | Abendstein, L, Sharp, T.H. | Deposit date: | 2022-11-28 | Release date: | 2023-06-21 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | Complement is activated by elevated IgG3 hexameric platforms and deposits C4b onto distinct antibody domains. Nat Commun, 14, 2023
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5B06
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![BU of 5b06 by Molmil](/molmil-images/mine/5b06) | Lysozyme (denatured by NaOD and refolded) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Kita, A, Morimoto, Y. | Deposit date: | 2015-10-28 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Effective Deuterium Exchange Method for Neutron Crystal Structure Analysis with Unfolding-Refolding Processes Mol Biotechnol., 58, 2016
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8B9U
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![BU of 8b9u by Molmil](/molmil-images/mine/8b9u) | |
6WH8
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![BU of 6wh8 by Molmil](/molmil-images/mine/6wh8) | The structure of NTMT1 in complex with compound BM-30 | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2020-04-07 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies. J.Med.Chem., 63, 2020
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6D66
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![BU of 6d66 by Molmil](/molmil-images/mine/6d66) | Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16 | Descriptor: | 1,2-ETHANEDIOL, D-ALANINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gumpena, R, Waugh, D.S, Lountos, G.T. | Deposit date: | 2018-04-20 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6DIU
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![BU of 6diu by Molmil](/molmil-images/mine/6diu) | Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74) | Descriptor: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, NS3 protease, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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5B59
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![BU of 5b59 by Molmil](/molmil-images/mine/5b59) | Hen egg-white lysozyme modified with a keto-ABNO. | Descriptor: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal, Lysozyme C | Authors: | Sasaki, D, Seki, Y, Sohma, Y, Oisaki, K, Kanai, M. | Deposit date: | 2016-04-28 | Release date: | 2016-09-14 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins J.Am.Chem.Soc., 138, 2016
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8STR
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![BU of 8str by Molmil](/molmil-images/mine/8str) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8SKJ
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![BU of 8skj by Molmil](/molmil-images/mine/8skj) | Crystal structure of a Nanobody bound to the V5 peptide. | Descriptor: | NbA1, V5 Epitope Tag Peptide | Authors: | Zaghal, M, Matte, K, Venes, A, Patel, S, Laroche, G, Sarvan, S, Joshi, M, Couture, J.F, Giguere, P.M. | Deposit date: | 2023-04-19 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Development of a V5-tag-directed nanobody and its implementation as an intracellular biosensor of GPCR signaling. J.Biol.Chem., 299, 2023
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6WXK
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![BU of 6wxk by Molmil](/molmil-images/mine/6wxk) | PHF23 PHD Domain Apo | Descriptor: | PHD finger protein 23, ZINC ION | Authors: | Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T. | Deposit date: | 2020-05-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion. Nat Commun, 11, 2020
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6DH0
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![BU of 6dh0 by Molmil](/molmil-images/mine/6dh0) | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DH8
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![BU of 6dh8 by Molmil](/molmil-images/mine/6dh8) | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DTQ
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![BU of 6dtq by Molmil](/molmil-images/mine/6dtq) | Maltose bound T. maritima MalE3 | Descriptor: | MAGNESIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE3 | Authors: | Cuneo, M.J, Shukla, S. | Deposit date: | 2018-06-18 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics. Biochemistry, 57, 2018
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6DI4
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![BU of 6di4 by Molmil](/molmil-images/mine/6di4) | |
6DIS
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![BU of 6dis by Molmil](/molmil-images/mine/6dis) | Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71) | Descriptor: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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6DMS
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![BU of 6dms by Molmil](/molmil-images/mine/6dms) | Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107 | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION | Authors: | Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B. | Deposit date: | 2018-06-05 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29. J. Biol. Chem., 293, 2018
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6DGO
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![BU of 6dgo by Molmil](/molmil-images/mine/6dgo) | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone | Descriptor: | (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | Authors: | Shang, J, Kojetin, D.J. | Deposit date: | 2018-05-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Quantitative structural assessment of graded receptor agonism. Proc.Natl.Acad.Sci.USA, 116, 2019
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6DH1
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![BU of 6dh1 by Molmil](/molmil-images/mine/6dh1) | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DIR
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![BU of 6dir by Molmil](/molmil-images/mine/6dir) | Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67) | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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