6FMW
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![BU of 6fmw by Molmil](/molmil-images/mine/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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6FMT
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![BU of 6fmt by Molmil](/molmil-images/mine/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
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![BU of 6fmy by Molmil](/molmil-images/mine/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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6FMS
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![BU of 6fms by Molmil](/molmil-images/mine/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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6O35
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6W90
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![BU of 6w90 by Molmil](/molmil-images/mine/6w90) | De novo designed NTF2 fold protein NT-9 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 | Authors: | Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2020-03-21 | Release date: | 2020-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
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5U9U
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![BU of 5u9u by Molmil](/molmil-images/mine/5u9u) | De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands | Descriptor: | Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-12-18 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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5HKF
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![BU of 5hkf by Molmil](/molmil-images/mine/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
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![BU of 5hki by Molmil](/molmil-images/mine/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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6NKO
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![BU of 6nko by Molmil](/molmil-images/mine/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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5VLI
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![BU of 5vli by Molmil](/molmil-images/mine/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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8PBO
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![BU of 8pbo by Molmil](/molmil-images/mine/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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5VID
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5VMR
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6Q2F
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![BU of 6q2f by Molmil](/molmil-images/mine/6q2f) | Structure of Rhamnosidase from Novosphingobium sp. PP1Y | Descriptor: | Glycoside hydrolase family protein, SODIUM ION | Authors: | Terry, B, Ha, J, Izzo, V, Sazinsky, M.H. | Deposit date: | 2019-08-07 | Release date: | 2019-11-27 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.20000076 Å) | Cite: | The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y. Arch.Biochem.Biophys., 679, 2019
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1U0I
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![BU of 1u0i by Molmil](/molmil-images/mine/1u0i) | IAAL-E3/K3 heterodimer | Descriptor: | IAAL-E3, IAAL-K3 | Authors: | Lindhout, D.A, Litowski, J.R, Mercier, P, Hodges, R.S, Sykes, B.D. | Deposit date: | 2004-07-13 | Release date: | 2004-10-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a highly stable de novo heterodimeric coiled-coil Biopolymers, 75, 2004
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6L63
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![BU of 6l63 by Molmil](/molmil-images/mine/6l63) | Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, ... | Authors: | Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K. | Deposit date: | 2019-10-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids. Nat.Chem., 12, 2020
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8PK8
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8PKA
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8PK9
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5AYY
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![BU of 5ayy by Molmil](/molmil-images/mine/5ayy) | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE REACTANT QUINOLINATE | Descriptor: | Nicotinate-nucleotide pyrophosphorylase [carboxylating], QUINOLINIC ACID | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | Deposit date: | 2015-09-14 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis Sci Rep, 6, 2016
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5AYX
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![BU of 5ayx by Molmil](/molmil-images/mine/5ayx) | Crystal structure of Human Quinolinate Phosphoribosyltransferase | Descriptor: | Nicotinate-nucleotide pyrophosphorylase [carboxylating] | Authors: | Kang, G.B, Kim, M.-K, Im, Y.J, Lee, J.H, Youn, H.-S, An, J.Y, Lee, J.-G, Fukuoka, S.-I, Eom, S.H. | Deposit date: | 2015-09-14 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis Sci Rep, 6, 2016
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5AYZ
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![BU of 5ayz by Molmil](/molmil-images/mine/5ayz) | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE | Descriptor: | NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating] | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | Deposit date: | 2015-09-14 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis Sci Rep, 6, 2016
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1ABZ
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![BU of 1abz by Molmil](/molmil-images/mine/1abz) | ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES | Descriptor: | ALPHA-T-ALPHA | Authors: | Fezoui, Y, Connolly, P.J, Osterhout, J.J. | Deposit date: | 1997-01-31 | Release date: | 1998-02-04 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of alpha t alpha, a helical hairpin peptide of de novo design. Protein Sci., 6, 1997
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