5LZ9
 
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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4RPC
 | | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, putative alpha/beta hydrolase | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-10-30 | | Release date: | 2014-11-12 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
To be Published
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7A2Q
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6DNA
 | | Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | Descriptor: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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7WJK
 | | Complex structure of AtHPPD-ZWJ | | Descriptor: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2022-01-06 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Complex structure of AtHPPD-PyQ1
To Be Published
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5LZ4
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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3K6O
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4TQX
 | | Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone. | | Descriptor: | ACETIC ACID, SULFATE ION, Sortase, ... | | Authors: | Wallock-Richards, D.J, Marles-Wright, J, Clarke, D.J, Maitra, A, Dodds, M, Hanley, B, Campopiano, D.J. | | Deposit date: | 2014-06-12 | | Release date: | 2015-05-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Chem.Commun.(Camb.), 51, 2015
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8OVD
 | | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | | Deposit date: | 2023-04-25 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
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8OVC
 | | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | | Deposit date: | 2023-04-25 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
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6BM7
 | | Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568 | | Descriptor: | 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium, ... | | Authors: | Volkov, O.A, Chen, Z, Phillips, M.A. | | Deposit date: | 2017-11-13 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.
J. Med. Chem., 61, 2018
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8OXS
 | | Cholera holotoxin variant (chimera with E. coli heat-labile enterotoxin, 4 C-terminal substitutions) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ... | | Authors: | Kersten, F, Heim, J.B, Cordara, G, Krengel, U. | | Deposit date: | 2023-05-02 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cholera toxin variants
To Be Published
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8OX6
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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5LXM
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6DTL
 | | Mitogen-activated protein kinase 6 | | Descriptor: | Mitogen-activated protein kinase 6 | | Authors: | Ruble, J. | | Deposit date: | 2018-06-17 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.753 Å) | | Cite: | Bipartite anchoring of SCREAM enforces stomatal initiation by coupling MAP kinases to SPEECHLESS.
Nat.Plants, 5, 2019
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8WA5
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8OX5
 | | Cryo-EM structure of ATP8B1-CDC50A in E1P-ADP conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Cell cycle control protein 50A, ... | | Authors: | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | Deposit date: | 2023-05-01 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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2O44
 | | Structure of 23S rRNA of the large ribosomal subunit from Deinococcus radiodurans in complex with the macrolide josamycin | | Descriptor: | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE, 23S rRNA | | Authors: | Pyetan, E, Daram, D, Auerbach-Nevo, T, Yonath, A. | | Deposit date: | 2006-12-03 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Chemical parameters influencing fine tuning in the binding of Macrolide antibiotics to the ribosomal tunnel
TO BE PUBLISHED
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8X2P
 | | The Crystal Structure of LCK from Biortus. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | | Deposit date: | 2023-11-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Crystal Structure of LCK from Biortus.
To Be Published
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7A0W
 | | Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CARDIOLIPIN, CHLORIDE ION, ... | | Authors: | Fippel, A, Gross, N.M, Mir, S.H, Wirth, C, Hunte, C. | | Deposit date: | 2020-08-11 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
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7A0X
 | | Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | Authors: | Fippel, A, Lentes, C.J, Mir, S.H, Wirth, C, Hunte, C. | | Deposit date: | 2020-08-11 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
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5NIR
 | | Crystal structure of collagen 2A vWC domain | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Collagen alpha-1(II) chain, ... | | Authors: | Fischer, G, Blythe, E, Hyvonen, M. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-14 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2.
J. Biol. Chem., 292, 2017
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8P1X
 | | TarM(Se)_G117R-UDP-glucose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Guo, Y, Stehle, T. | | Deposit date: | 2023-05-13 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
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7A0Y
 | | Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Fippel, A, Mir, S.H, Lentes, C.J, Wirth, C, Hunte, C. | | Deposit date: | 2020-08-11 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
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6D66
 | | Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16 | | Descriptor: | 1,2-ETHANEDIOL, D-ALANINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Waugh, D.S, Lountos, G.T. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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