9FWX
 
 | | Crystal structure of BRD4 BD1 with MEN1404BS. | | Descriptor: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D. | | Deposit date: | 2024-07-01 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 2024
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9G2R
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4K7U
 | | Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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9G2W
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9CBE
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4K2Y
 | | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | | Authors: | Collins, B.K, Padyana, A.K. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
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9BR6
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9FDK
 | | Crystal Structure of oxidized NuoEF variant R66G(NuoF) from Aquifex aeolicus | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | Deposit date: | 2024-05-17 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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4K8W
 | | An arm-swapped dimer of the S. pyogenes pilin specific assembly factor SipA | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, LepA | | Authors: | Young, P.G, Kang, H.J, Baker, E.N. | | Deposit date: | 2013-04-19 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | An arm-swapped dimer of the Streptococcus pyogenes pilin specific assembly factor SipA.
J.Struct.Biol., 183, 2013
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9CGM
 | | The Structure of Spiroplasma Virus 4 | | Descriptor: | Capsid protein VP1, DNA binding protein ORF8 | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2024-06-30 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae.
Viruses, 16, 2024
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9FX4
 | | Crystal structure of Cryo2RT Thaumatin at 100K | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Huang, C.Y, Aumonier, S, Olieric, V, Wang, M. | | Deposit date: | 2024-07-01 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals.
Acta Crystallogr D Struct Biol, 80, 2024
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9G0K
 | | CysG(N-16) in complex with SAH (metal free, cocrystallization in presence of EDTA) from Kitasatospora cystarginea | | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | Deposit date: | 2024-07-08 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Deciphering the SAM- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study
to be published
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9FJE
 | | Expanded formalin inactivated CVB1 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
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4KB4
 | | Crystal structure of ribosome recycling factor mutant R31A from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, Ribosome-recycling factor | | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | | Deposit date: | 2013-04-23 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
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9BPF
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9CIL
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B. | | Deposit date: | 2024-07-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
To Be Published
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9CIK
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Zhang, Y, Schlessman, J.L, SIegler, M.A, Garcia-Moreno E, B. | | Deposit date: | 2024-07-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature
To Be Published
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9BOR
 | | IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution | | Descriptor: | (2R,3S)-heptane-1,2,3-triol, NF-kappa-B inhibitor zeta, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Rogers, W.E, Zhu, N, Huxford, T. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural and biochemical analyses of the nuclear I kappa B zeta protein in complex with the NF-kappa B p50 homodimer.
Genes Dev., 38, 2024
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9CII
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Zhang, Y, Schlessman, J.L, Robinson, A.C, Garcia-Moreno E, B. | | Deposit date: | 2024-07-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
To Be Published
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4K8H
 | | OYE1-W116V complexed with (R)-carvone | | Descriptor: | (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Sullivan, B, Pompeu, Y.A, Stewart, J.D. | | Deposit date: | 2013-04-18 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X‑ray Crystallography Reveals How Subtle Changes Control the
Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
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6DLL
 | | 2.2 Angstrom Resolution Crystal Structure of P-Hydroxybenzoate Hydroxylase from Pseudomonas putida in Complex with FAD. | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-01 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural comparison of p-hydroxybenzoate hydroxylase (PobA) from Pseudomonas putida with PobA from other Pseudomonas spp. and other monooxygenases.
Acta Crystallogr.,Sect.F, 75, 2019
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4KCG
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-39 inhibitor | | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-04-24 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication.
J.Exp.Med., 211, 2014
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9CWL
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9BOO
 | | Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883 | | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | | Authors: | Chen, P, Arutyunova, E, Lemieux, M.J. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (Mpro) of SARS-CoV-2 and MERS-CoV
Jacs Au, 2024
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9BXA
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