7XEA
 
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 40%, and then backsoaking | | Descriptor: | CHLORIDE ION, Endolysin, GLYCEROL, ... | | Authors: | Tamada, T, Hiromoto, T. | | Deposit date: | 2022-03-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7X07
 | | Cryo-EM structure of human ABCD1 in the presence of C26:0 | | Descriptor: | ATP-binding cassette sub-family D member 1, hexacosanoic acid | | Authors: | Chao, X, Li-Na, J, Lin, T. | | Deposit date: | 2022-02-21 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
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7LR0
 | | Structure of squirrel TRPV1 in complex with capsaicin | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, Osm-9-like TRP channel 1, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2021-02-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
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7X0T
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7LGD
 | | HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-01-20 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
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7XE5
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH4 | | Descriptor: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | | Authors: | Tamada, T, Hiromoto, T. | | Deposit date: | 2022-03-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7XE9
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 20% | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Endolysin, ... | | Authors: | Tamada, T, Hiromoto, T. | | Deposit date: | 2022-03-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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7XBE
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7X1W
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7XEC
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7XFT
 | | MucP PDZ2 domain | | Descriptor: | Putative zinc metalloprotease PA3649, SODIUM ION, VALINE | | Authors: | Lou, X, Li, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2022-04-02 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | MucP PDZ2 domain
To Be Published
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7LD9
 | | Structure of human GGT1 in complex with ABBA | | Descriptor: | (2R)-2-amino-4-boronobutanoic acid, (2S)-2-amino-4-boronobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Terzyan, S.S, Hanigan, M. | | Deposit date: | 2021-01-12 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Design and evaluation of novel analogs of 2-amino-4-boronobutanoic acid (ABBA) as inhibitors of human gamma-glutamyl transpeptidase.
Bioorg.Med.Chem., 73, 2022
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7LP6
 | | X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2 (merged) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-11 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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6GRE
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7LY8
 | | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-03-06 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
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7LH8
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 | | Descriptor: | (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2021-01-21 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
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6E7V
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7V9E
 | | Crystal structure of a methyl transferase ribozyme | | Descriptor: | BARIUM ION, GUANINE, RNA (68-MER), ... | | Authors: | Deng, J, Lilley, D.M.J, Huang, L. | | Deposit date: | 2021-08-25 | | Release date: | 2022-03-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and mechanism of a methyltransferase ribozyme.
Nat.Chem.Biol., 18, 2022
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7M1Y
 | | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Maltseva, N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-03-15 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with ebselen
to be published
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7VUK
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7KUQ
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4LXB
 | | Crystal Structure Analysis of thrombin in complex with compound D58 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ... | | Authors: | Stehlin-Gaon, C, Bocskei, Z. | | Deposit date: | 2013-07-29 | | Release date: | 2014-06-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
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7L35
 | | Human DNA Ligase 1 - R771W nicked DNA complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tumbale, P.P, Williams, R.S, Schellenberg, M.S. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency.
Nucleic Acids Res., 49, 2021
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4LZ4
 | | X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer.
Febs J., 280, 2013
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7XKA
 | | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | | Deposit date: | 2022-04-19 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
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