8A2O
 
 | | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | | Deposit date: | 2022-06-06 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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6GG3
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8FG5
 | | Apo mouse acidic mammalian chitinase, catalytic domain at 100 K | | Descriptor: | Acidic mammalian chitinase, MAGNESIUM ION | | Authors: | Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2022-12-12 | | Release date: | 2023-03-01 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
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8QLR
 | | Human MST3 (STK24) kinase in complex with inhibitor MR24 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
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8QLS
 | | Human MST3 (STK24) kinase in complex with inhibitor MR26 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
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8DCY
 | | CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab | | Descriptor: | 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
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8DDK
 | | CCHFV GP38 Hoti/Kosovo bound with CC5_17 | | Descriptor: | Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ... | | Authors: | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | | Deposit date: | 2022-06-18 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.86 Å) | | Cite: | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
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7Q71
 | | The crystallographic structure of the Ligand Binding domain of the NR7 nuclear receptor from the amphioxus Branchiostoma lanceolatum | | Descriptor: | CHLORIDE ION, Nuclear hormone receptor 7, PHOSPHATE ION | | Authors: | Billas, I.M.L, McEwen, A.G, Hazemann, I, Moras, D, Laudet, V. | | Deposit date: | 2021-11-09 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel nuclear receptor subfamily enlightens the origin of heterodimerization.
Bmc Biol., 20, 2022
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2RTV
 | | Tachyplesin I in water | | Descriptor: | Tachyplesin-1 | | Authors: | Kushibiki, T, Kamiya, M, Aizawa, T, Kumaki, Y, Kikukawa, T, Mizuguchi, M, Demura, M, Kawabata, S.I, Kawano, K. | | Deposit date: | 2013-09-19 | | Release date: | 2014-02-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Interaction between tachyplesin I, an antimicrobial peptide derived from horseshoe crab, and lipopolysaccharide.
Biochim.Biophys.Acta, 1844, 2014
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8FO3
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2RLI
 | | Solution structure of Cu(I) human Sco2 | | Descriptor: | COPPER (I) ION, SCO2 protein homolog, mitochondrial | | Authors: | Banci, L, Bertini, I, Ciofi-baffoni, S, Gerothanassis, I.P, Leontari, I, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2007-07-11 | | Release date: | 2007-08-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A Structural Characterization of Human SCO2
Structure, 15, 2007
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8ADQ
 | | Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate and D-Glyceraldehyde | | Descriptor: | 3-HYDROXYPYRUVIC ACID, BROMIDE ION, D-Glyceraldehyde, ... | | Authors: | Justo, I, Marsden, S.R, Hanefeld, U, Bento, I. | | Deposit date: | 2022-07-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
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1K0V
 | | Copper trafficking: the solution structure of Bacillus subtilis CopZ | | Descriptor: | COPPER (I) ION, CopZ | | Authors: | Banci, L, Bertini, I, Del Conte, R, Markey, J, Ruiz-Duenas, F.J. | | Deposit date: | 2001-09-21 | | Release date: | 2001-12-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Copper trafficking: the solution structure of Bacillus subtilis CopZ.
Biochemistry, 40, 2001
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8CX2
 | | Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 2 | | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ... | | Authors: | Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D. | | Deposit date: | 2022-05-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
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8CX1
 | | Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 1 | | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ... | | Authors: | Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D. | | Deposit date: | 2022-05-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
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6H5Y
 | | PM1 mutant, 7D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ... | | Authors: | Munoz, I.G, De Salas, F, Camarero, S. | | Deposit date: | 2018-07-25 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Advanced Synthesis of Conductive Polyaniline Using Laccase as Biocatalyst.
PLoS ONE, 11, 2016
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8CWO
 | | Cutibacterium acnes 30S ribosomal subunit with Sarecycline bound, body domain only in the local refined map | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | | Deposit date: | 2022-05-19 | | Release date: | 2023-03-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
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8CVO
 | | Cutibacterium acnes 30S ribosomal subunit with Sarecycline bound, head domain only in the local refined map | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
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8CVM
 | | Cutibacterium acnes 50S ribosomal subunit with P-site tRNA and Sarecycline bound in the local refined map | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-15 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
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8FE2
 | | Structure of J-PKAc chimera complexed with Aplithianine A | | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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5F90
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with Gb3 allyl | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-Propen-1-ol, GalNAc/Gal-specific lectin, ... | | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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5W67
 | | HLA-C*06:02 presenting VRSRR(ABA)LRL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | | Deposit date: | 2017-06-16 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule.
J. Biol. Chem., 292, 2017
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8AMO
 | | Crystal structure of M. tuberculosis CYP143 | | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-08-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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8AMP
 | | Crystal structure of M.tuberculosis ferredoxin Fdx | | Descriptor: | FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin | | Authors: | Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-08-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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