8JWZ
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![BU of 8jwz by Molmil](/molmil-images/mine/8jwz) | Crystal structure of A2AR-T4L in complex with AB928 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
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8G8D
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![BU of 8g8d by Molmil](/molmil-images/mine/8g8d) | Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide | Descriptor: | DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ... | Authors: | Niyongabo, A, Janus, B.M, Ofek, G. | Deposit date: | 2023-02-17 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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8G8A
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![BU of 8g8a by Molmil](/molmil-images/mine/8g8a) | Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... | Authors: | Janus, B.M, Astavans, A, Ofek, G. | Deposit date: | 2023-02-17 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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1N82
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![BU of 1n82 by Molmil](/molmil-images/mine/1n82) | The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus | Descriptor: | GLYCEROL, SODIUM ION, intra-cellular xylanase | Authors: | Solomon, V, Teplitsky, A, Golan, G, Gilboa, R, Reiland, V, Shulami, S, Moryles, S, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2002-11-19 | Release date: | 2003-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The high-resolution crystal structure of IXT6,
a thermophilic, intracellular xylanase from G. stearothermophilus To be Published
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7P18
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![BU of 7p18 by Molmil](/molmil-images/mine/7p18) | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Sterolibacterium denitrificans in complex with 1,4-androstadiene-3,17-dione | Descriptor: | 3-oxosteroid 1-dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wojcik, P, Mrugala, B, Kurpiewska, K, Szaleniec, M. | Deposit date: | 2021-07-01 | Release date: | 2021-07-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ─The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis. Biochemistry, 62, 2023
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8JZI
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![BU of 8jzi by Molmil](/molmil-images/mine/8jzi) | Mutant S-adenosylmethionine synthase from C. glutamicum | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Lee, S, Kim, K.J. | Deposit date: | 2023-07-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and Biochemical Studies on Product Inhibition of S-Adenosylmethionine Synthetase from Corynebacterium glutamicum . J.Agric.Food Chem., 71, 2023
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8JZH
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![BU of 8jzh by Molmil](/molmil-images/mine/8jzh) | C. glutamicum S-adenosylmethionine synthase | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, S-adenosylmethionine synthase, ... | Authors: | Lee, S, Kim, K.J. | Deposit date: | 2023-07-05 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Biochemical Studies on Product Inhibition of S-Adenosylmethionine Synthetase from Corynebacterium glutamicum . J.Agric.Food Chem., 71, 2023
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8OK3
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![BU of 8ok3 by Molmil](/molmil-images/mine/8ok3) | |
8OND
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![BU of 8ond by Molmil](/molmil-images/mine/8ond) | |
7P2H
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![BU of 7p2h by Molmil](/molmil-images/mine/7p2h) | Dimethylated fusion protein of RSL and mussel adhesion peptide (Mefp) in complex with cucurbit[7]uril, H3 sheet assembly | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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7P2J
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![BU of 7p2j by Molmil](/molmil-images/mine/7p2j) | Dimethylated fusion protein of RSL and trimeric coiled coil (4dzn) in complex with cucurbit[7]uril, H3 sheet assembly | Descriptor: | Fucose-binding lectin protein, SODIUM ION, beta-D-mannopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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8H1B
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![BU of 8h1b by Molmil](/molmil-images/mine/8h1b) | Crystal structure of MnmM from S. aureus complexed with SAM and tRNA anti-codon stem loop (ASL) (1.55 A) | Descriptor: | RNA (5'-R(*AP*CP*GP*GP*AP*CP*UP*UP*UP*GP*AP*CP*UP*CP*CP*GP*U)-3'), S-ADENOSYLMETHIONINE, SODIUM ION, ... | Authors: | Kim, J, Cho, G, Lee, J. | Deposit date: | 2022-10-01 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification. Nucleic Acids Res., 51, 2023
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7OKW
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![BU of 7okw by Molmil](/molmil-images/mine/7okw) | 1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y. | Deposit date: | 2021-05-18 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains. Chembiochem, 23, 2022
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7P51
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![BU of 7p51 by Molmil](/molmil-images/mine/7p51) | CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ... | Authors: | Hanoulle, X, Moschidi, D. | Deposit date: | 2021-07-13 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment. Angew.Chem.Int.Ed.Engl., 60, 2021
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7OKC
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![BU of 7okc by Molmil](/molmil-images/mine/7okc) | Crystal structure of Escherichia coli LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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8HFH
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![BU of 8hfh by Molmil](/molmil-images/mine/8hfh) | CENP-E motor domain in complex with AMPPNP and Mg2+ | Descriptor: | Centromere-associated protein E, IMIDAZOLE, MAGNESIUM ION, ... | Authors: | Shibuya, A, Yokoyama, H. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the motor domain of centromere-associated protein E in complex with a non-hydrolysable ATP analogue. Febs Lett., 597, 2023
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7P1S
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![BU of 7p1s by Molmil](/molmil-images/mine/7p1s) | Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-02 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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7P1R
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![BU of 7p1r by Molmil](/molmil-images/mine/7p1r) | |
7P8Z
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![BU of 7p8z by Molmil](/molmil-images/mine/7p8z) | Short wilavidin biotin complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BIOTIN, ... | Authors: | Avraham, O, Livnah, O. | Deposit date: | 2021-07-23 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers. Febs J., 289, 2022
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8OLD
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![BU of 8old by Molmil](/molmil-images/mine/8old) | Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, CACODYLATE ION, ... | Authors: | Manakova, E.N, Zaremba, M, Grazulis, S. | Deposit date: | 2023-03-30 | Release date: | 2024-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein. Nucleic Acids Res., 52, 2024
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8HAP
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![BU of 8hap by Molmil](/molmil-images/mine/8hap) | Crystal structure of thermostable acetaldehyde dehydrogenase from hyperthermophilic archaeon Sulfolobus tokodaii | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, SODIUM ION, ... | Authors: | Mine, S, Nakabayashi, M, Ishikawa, K. | Deposit date: | 2022-10-26 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of thermostable acetaldehyde dehydrogenase from the hyperthermophilic archaeon Sulfolobus tokodaii. Acta Crystallogr.,Sect.F, 79, 2023
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8HP6
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![BU of 8hp6 by Molmil](/molmil-images/mine/8hp6) | Crystal structure of (S)-2-haloacid dehalogenase D12A mutant | Descriptor: | (S)-2-haloacid dehalogenase, SODIUM ION | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | Deposit date: | 2022-12-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening Catalysis Science And Technology, 2023
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8KI0
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![BU of 8ki0 by Molmil](/molmil-images/mine/8ki0) | Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ... | Authors: | Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O. | Deposit date: | 2023-08-22 | Release date: | 2024-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom. Rsc Adv, 14, 2024
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7OV3
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![BU of 7ov3 by Molmil](/molmil-images/mine/7ov3) | Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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8H9O
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![BU of 8h9o by Molmil](/molmil-images/mine/8h9o) | |