7XD9
| Crystal Structure of Dengue Virus serotype 2 (DENV2) Polymerase Elongation Complex (CTP Form) | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wu, J, Wang, X, Gong, P. | Deposit date: | 2022-03-26 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases. Proc.Natl.Acad.Sci.USA, 120, 2023
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5HKF
| Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Orotate phosphoribosyltransferase | Authors: | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | Deposit date: | 2016-01-14 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis. Sci Rep, 7, 2017
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5HKL
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5HKI
| Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate | Descriptor: | Iron(III) dicitrate, Orotate phosphoribosyltransferase | Authors: | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | Deposit date: | 2016-01-14 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis. Sci Rep, 7, 2017
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5VLI
| Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bernard, S.M, Wilson, I.A. | Deposit date: | 2017-04-25 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Massively parallel de novo protein design for targeted therapeutics. Nature, 550, 2017
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6NKO
| Crystal structure of ForH | Descriptor: | ForH | Authors: | Zheng, J, Irani, S, Zhang, Y. | Deposit date: | 2019-01-07 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis. J. Am. Chem. Soc., 141, 2019
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5NNN
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5NNQ
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6TJ1
| Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6FMS
| IMISX-EP of Se-LspA | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMT
| IMISX-EP of Hg-BacA Soaking SAD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMY
| IMISX-EP of S-PepTSt | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Di-or tripeptide:H+ symporter, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMV
| IMISX-EP of Hg-BacA soaking SIRAS | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMX
| IMISX-EP of W-PgpB | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphatidylglycerophosphatase B, TUNGSTATE(VI)ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMR
| IMISX-EP of Se-PepTSt | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-08-29 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMW
| IMISX-EP of Hg-BacA cocrystallization | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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5VMR
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5VID
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8PBO
| Deep interactome learning for generative drug design | Descriptor: | 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Hakansson, M, Focht, D, Atz, K, Schneider, G. | Deposit date: | 2023-06-09 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Prospective de novo drug design with deep interactome learning. Nat Commun, 15, 2024
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7RDH
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7A4Y
| Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34. | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil P5 peptide, Coiled-coil P6 peptide, ... | Authors: | Hadzi, S. | Deposit date: | 2020-08-20 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7A4T
| Crystal structure of the GCN coiled-coil in complex with nanobody Nb39 | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, GCN4 isoform 1, ... | Authors: | Hadzi, S. | Deposit date: | 2020-08-20 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7A50
| Crystal structure of the APH coiled-coil in complex with nanobody Nb26 | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil APH, Nanobody Nb26 | Authors: | Hadzi, S. | Deposit date: | 2020-08-20 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7A48
| Crystal structure of the APH coiled-coil in complex with Nb49 | Descriptor: | APH colied-coil, Nanobody 49 | Authors: | Hadzi, S. | Deposit date: | 2020-08-19 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7A4D
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