6HMD
 
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18 | | Descriptor: | 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
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6VVG
 | | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Arginine kinase | | Authors: | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | | Deposit date: | 2020-02-17 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
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6HGK
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7BR5
 | | Lysozyme-sugar complex in H2O | | Descriptor: | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Tanaka, I, Chatake, T. | | Deposit date: | 2020-03-26 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
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4U00
 | | Crystal structure of TTHA1159 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Amino acid ABC transporter, ATP-binding protein, ... | | Authors: | Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J. | | Deposit date: | 2014-07-11 | | Release date: | 2015-05-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
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7ZT0
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6VIS
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6HIP
 | | Structure of SPF45 UHM bound to HIV-1 Rev ULM | | Descriptor: | HIV-1 Rev (41-49), SODIUM ION, Splicing factor 45, ... | | Authors: | Pabis, M, Corsini, L, Sattler, M. | | Deposit date: | 2018-08-30 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors.
Nucleic Acids Res., 47, 2019
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7ZQR
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D. | | Deposit date: | 2022-05-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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4U1P
 | | Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide | | Descriptor: | Middle T antigen, POLYETHYLENE GLYCOL (N=34), SODIUM ION, ... | | Authors: | Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. | | Deposit date: | 2014-07-16 | | Release date: | 2015-07-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Human Fyn-SH2 domain in complex with a synthetic high-affinity phospho-peptide
To Be Published
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6HQK
 | | Crystal structure of GcoA F169A bound to guaiacol | | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQR
 | | Crystal structure of GcoA F169H bound to syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2018-09-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5HLQ
 | | X-ray crystal structure of met F43H/H64A sperm whale myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yuan, H. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Regulating the nitrite reductase activity of myoglobin by redesigning the heme active center
Nitric Oxide, 57, 2016
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7ZXD
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-05-20 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7ZSU
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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8RUS
 | | Hen egg-white lysozyme (HEWL) structure from EuXFEL FXE, multi-hit Droplet-on-Demand (DoD) injection, 9.3 keV photon energy, space group P432121 | | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Perrett, S, van Thor, J.J. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Kilohertz droplet-on-demand serial femtosecond crystallography at the European XFEL station FXE.
Struct Dyn., 11, 2024
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4TXC
 | | Crystal Structure of DAPK1 kinase domain in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(3-{3-[(R)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol, Death-associated protein kinase 1 | | Authors: | Sorrell, F.J, Krojer, T, Wilbek, T.S, Skovgaard, T, Berthelsen, J, Dixon-Clarke, S, Chalk, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Stromgaard, K, Knapp, S. | | Deposit date: | 2014-07-03 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1.
Chembiochem, 16, 2015
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7ZLZ
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-04-17 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6HTU
 | | Structure of hStau1 dsRBD3-4 in complex with ARF1 RNA | | Descriptor: | Double-stranded RNA-binding protein Staufen homolog 1, RNA (19-MER) | | Authors: | Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F. | | Deposit date: | 2018-10-04 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.888 Å) | | Cite: | The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity.
Life Sci Alliance, 1, 2018
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6HWV
 | | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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4TVF
 | | OxyB from Actinoplanes teichomyceticus | | Descriptor: | OxyB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haslinger, K, Cryle, M.J. | | Deposit date: | 2014-06-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
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4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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7ZIC
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7ZZL
 | | Crystal structure of CYP106A1 | | Descriptor: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Carius, Y, Kiss, F, Hutter, M, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2022-05-25 | | Release date: | 2023-04-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
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5HS1
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) complexed with Voriconazole | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | | Authors: | Sabherwal, M, Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2016-01-24 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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