6H99
 
 | | Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in persulfide form. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. | | Deposit date: | 2018-08-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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6CP7
 | | Monomer yeast ATP synthase Fo reconstituted in nanodisc generated from masked refinement. | | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | | Deposit date: | 2018-03-13 | | Release date: | 2018-04-11 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
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4ZA9
 | | Structure of A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor | | Descriptor: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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3DEG
 | | Complex of elongating Escherichia coli 70S ribosome and EF4(LepA)-GMPPNP | | Descriptor: | 30S RNA helix 14, 30S RNA helix 8, 30S ribosomal protein S12, ... | | Authors: | Connell, S.R, Topf, M, Qin, Y, Wilson, D.N, Mielke, T, Fucini, P, Nierhaus, K.H, Spahn, C.M.T. | | Deposit date: | 2008-06-10 | | Release date: | 2008-08-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (10.9 Å) | | Cite: | A new tRNA intermediate revealed on the ribosome during EF4-mediated back-translocation
Nat.Struct.Mol.Biol., 15, 2008
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6HIJ
 | | Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATP-binding cassette sub-family G member 2, CHOLESTEROL, ... | | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. | | Deposit date: | 2018-08-30 | | Release date: | 2018-09-19 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat.Struct.Mol.Biol., 25, 2018
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4ZDJ
 | | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules | | Descriptor: | CTP synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | | Deposit date: | 2015-04-17 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
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6NDD
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5KSF
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4ZFK
 | | Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine | | Descriptor: | 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE | | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | | Deposit date: | 2015-04-21 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
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7X09
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ... | | Authors: | Manickam, Y, Babbar, P, Pillai, P, Sharma, A. | | Deposit date: | 2022-02-21 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
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5R80
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl 4-sulfamoylbenzoate | | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4ZGS
 | | Identification of the pyruvate reductase of Chlamydomonas reinhardtii | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative D-lactate dehydrogenase | | Authors: | Burgess, S.J, Hussein, T, Yeoman, J.A, Iamshanova, O, Boehm, M, Bundy, J, Bialek, W, Murray, J.W, Nixon, P.J. | | Deposit date: | 2015-04-23 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.461 Å) | | Cite: | Identification of the Elusive Pyruvate Reductase of Chlamydomonas reinhardtii Chloroplasts.
Plant Cell.Physiol., 57, 2016
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1KOD
 | | RNA APTAMER COMPLEXED WITH CITRULLINE, NMR | | Descriptor: | CITRULLINE, RNA (5'-R(P*AP*CP*GP*GP*UP*UP*AP*GP*GP*UP*CP*GP*CP*U)-3'), RNA (5'-R(P*AP*GP*AP*AP*GP*GP*AP*GP*UP*GP*U)-3') | | Authors: | Yang, Y.S, Kochoyan, M, Burgstaller, P, Westhof, E, Famulok, M. | | Deposit date: | 1996-03-28 | | Release date: | 1996-11-08 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of ligand discrimination by two related RNA aptamers resolved by NMR spectroscopy.
Science, 272, 1996
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1KI2
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR | | Descriptor: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1998-05-15 | | Release date: | 1998-12-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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1BWP
 | | PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Authors: | Ho, Y.S, Sheffield, P.J, Masuyama, J, Arai, H, Li, J, Aoki, J, Inoue, K, Derewenda, U, Derewenda, Z. | | Deposit date: | 1998-09-27 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase
Protein Eng., 12, 1999
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3PDS
 | | Irreversible Agonist-Beta2 Adrenoceptor Complex | | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | | Deposit date: | 2010-10-24 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
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6NKL
 | | 2.2 A resolution structure of VapBC-1 from nontypeable Haemophilus influenzae | | Descriptor: | Antitoxin VapB1, Ribonuclease VapC | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Molinaro, A.L, Daines, D.A. | | Deposit date: | 2019-01-07 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of VapBC-1 from Nontypeable Haemophilus influenzae and the Effect of PIN Domain Mutations on Survival during Infection.
J.Bacteriol., 201, 2019
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1BWR
 | | PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | | Authors: | Ho, Y.S, Sheffield, P.J, Masuyama, J, Arai, H, Li, J, Aoki, J, Inoue, K, Derewenda, U, Derewenda, Z. | | Deposit date: | 1998-09-27 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase
Protein Eng., 12, 1999
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7YFY
 | | Cryo-EM structure of the Mili-piRNA- target ternary complex | | Descriptor: | MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ... | | Authors: | Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z. | | Deposit date: | 2022-07-09 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
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4N7L
 | | Zinc Substituted Reaction Center M(L214H) Variant of Rhodobacter sphaeroides | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ... | | Authors: | Hardjasa, A, Murphy, M.E.P. | | Deposit date: | 2013-10-15 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2014
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4F03
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5HO8
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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1TKL
 | | Yeast Oxygen-Dependent Coproporphyrinogen Oxidase | | Descriptor: | Coproporphyrinogen III oxidase | | Authors: | Phillips, J.D, Whitby, F.G, Warby, C.A, Labbe, P, Yang, C, Pflugrath, J.W, Ferrara, J.D, Robinson, H, Kushner, J.P, Hill, C.P. | | Deposit date: | 2004-06-08 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Oxygen-dependant Coproporphyrinogen Oxidase (Hem13p) of Saccharomyces cerevisiae
J.Biol.Chem., 279, 2004
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4TU4
 | | Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid | | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-23 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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2WWF
 | | Plasmodium falciparum thymidylate kinase in complex with TMP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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