8C19
 
 | | SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone | | Authors: | Schuller, M, Ahel, I. | | Deposit date: | 2022-12-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors.
Pathogens, 12, 2023
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7S7F
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6A4S
 | | Crystal structure of peptidase E with ordered active site loop from Salmonella enterica | | Descriptor: | Peptidase E | | Authors: | Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D. | | Deposit date: | 2018-06-20 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition.
FEBS Lett., 592, 2018
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7VSC
 | | E. coli Ribonuclease HI in complex with one Mg2+ (1) | | Descriptor: | MAGNESIUM ION, Ribonuclease HI, SULFATE ION | | Authors: | Liao, Z, Oyama, T. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7S9I
 | | Room-temperature Human Hsp90a-NTD bound to EC144 | | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S79
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6UI4
 | | Crystal structure of phenamacril-bound F. graminearum myosin I | | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Zhou, Y, Zhou, X.E, Gong, Y, Zhu, Y, Xu, H.E, Zhou, M, Melcher, K, Zhang, F. | | Deposit date: | 2019-09-30 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of Fusarium myosin I inhibition by phenamacril.
Plos Pathog., 16, 2020
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7VSD
 | | E. coli Ribonuclease HI in complex with one Mg2+ (2) | | Descriptor: | MAGNESIUM ION, Ribonuclease HI, SULFATE ION | | Authors: | Liao, Z, Oyama, T. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pivotal role of a conserved histidine in Escherichia coli ribonuclease HI as proposed by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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8OK9
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6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Bigelow, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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7S7E
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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8OSB
 | | TWIST1-TCF4-ALX4 complex on specific DNA | | Descriptor: | DNA (25-MER), Homeobox protein aristaless-like 4, Transcription factor 4, ... | | Authors: | Morgunova, E, Kim, S, Popov, A, Wysocka, J, Taipale, J. | | Deposit date: | 2023-04-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | DNA-guided transcription factor cooperativity shapes face and limb mesenchyme.
Cell, 187, 2024
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7S8J
 | | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6OO6
 | | Dehaloperoxidase B in complex with substrate p-cresol | | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, P-CRESOL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6UIM
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8OQN
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53 | | Descriptor: | 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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7S98
 | | Cryogenic Human Hsp90a-NTD bound to N6M | | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6OOD
 | | Structure of the pterocarpan synthase dirigent protein PsPTS1 | | Descriptor: | pterocarpan synthase dirigent protein PsPTS1 | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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6UMZ
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7S7D
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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7VSE
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7S9H
 | | Cryogenic Human Hsp90a-NTD bound to EC144 | | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6A8S
 | | Crystal Structure of the putative amino acid-binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Cysteine | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | | Deposit date: | 2018-07-10 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding.
Febs J., 286, 2019
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7VKX
 | | The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with glucose | | Descriptor: | CALCIUM ION, beta-1,2-glucosyltransferase, beta-D-glucopyranose | | Authors: | Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H. | | Deposit date: | 2021-10-01 | | Release date: | 2022-03-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
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8P8Q
 | | Recombinant Ym1 crystal structure | | Descriptor: | ACETATE ION, Chitinase-like protein 3, GLYCEROL | | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Ym1 protein crystals promote type 2 immunity.
Elife, 12, 2024
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