7OSK
 
 | | Ignisphaera aggregans GH53 catalytic domain | | Descriptor: | Arabinogalactan endo-1,4-beta-galactosidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fredslund, F, Lo Leggio, L, Poulsen, J.C, Rasmussen, K.K, Muderspach, S, Krogh, K.B.R.M, Jensen, K. | | Deposit date: | 2021-06-08 | | Release date: | 2021-09-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Engineering the substrate binding site of the hyperthermostable archaeal endo-beta-1,4-galactanase from Ignisphaera aggregans.
Biotechnol Biofuels, 14, 2021
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1YYQ
 | | Y305F Trichodiene Synthase complexed with pyrophosphate | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, Trichodiene synthase | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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6JN2
 | | Crystal structure of the coiled-coil domains of human DOT1L in complex with AF10 | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10 | | Authors: | Song, X, Wang, M, Yang, N, Xu, R.M. | | Deposit date: | 2019-03-13 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A higher-order configuration of the heterodimeric DOT1L-AF10 coiled-coil domains potentiates their leukemogenenic activity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3C02
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1ZMT
 | | Structure of haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (R)-para-nitro styrene oxide, with a water molecule in the halide-binding site | | Descriptor: | (R)-PARA-NITROSTYRENE OXIDE, Haloalcohol dehalogenase HheC | | Authors: | de Jong, R.M, Tiesinga, J.J.W, Villa, A, Tang, L, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
J.Am.Chem.Soc., 127, 2005
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1YYR
 | | Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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3NTH
 | | Crystal structure of Tudor and Aubergine [R13(me2s)] complex | | Descriptor: | Maternal protein tudor, peptide from Aubergine | | Authors: | Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M. | | Deposit date: | 2010-07-05 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
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4UY3
 | | Cytoplasmic domain of bacterial cell division protein ezra | | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | | Deposit date: | 2014-08-28 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
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2AE9
 | | Solution Structure of the theta subunit of DNA polymerase III from E. coli | | Descriptor: | DNA polymerase III, theta subunit | | Authors: | Mueller, G.A, Kirby, T.W, Derose, E.F, Li, D, Schaaper, R.M, London, R.E. | | Deposit date: | 2005-07-21 | | Release date: | 2005-10-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Solution Structure of the Escherichia coli DNA Polymerase III {theta} Subunit.
J.Bacteriol., 187, 2005
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4ISK
 | | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2013-01-16 | | Release date: | 2013-12-25 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 2013
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1ZW9
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7OPQ
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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3OO1
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7OPR
 | | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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7OPP
 | | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
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2LC9
 | | Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant | | Descriptor: | Lysozyme | | Authors: | Bouvignies, G, Vallurupalli, P, Hansen, D, Correia, B, Lange, O, Bah, A, Vernon, R.M, Dahlquist, F.W, Baker, D, Kay, L.E. | | Deposit date: | 2011-04-26 | | Release date: | 2011-08-17 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a minor and transiently formed state of a T4 lysozyme mutant.
Nature, 477, 2011
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3OO0
 | | Structure of apo CheY A113P | | Descriptor: | AMMONIUM ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Pazy, Y, Collins, E.J, Guanga, G.P, Miller, P.J, Immormino, R.M, Silversmith, R.E, Bourret, R.B. | | Deposit date: | 2010-08-30 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring the effect of an allosteric site on conformational coupling in CheY
To be Published
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4J37
 | | Crystal structure of the catalytic domain of human Pus1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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3P22
 | | Crystal structure of the ENE, a viral RNA stability element, in complex with A9 RNA | | Descriptor: | Core ENE hairpin from KSHV PAN RNA, oligo(A)9 RNA | | Authors: | Mitton-Fry, R.M, DeGregorio, S.J, Wang, J, Steitz, T.A, Steitz, J.A. | | Deposit date: | 2010-10-01 | | Release date: | 2010-12-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Poly(A) tail recognition by a viral RNA element through assembly of a triple helix.
Science, 330, 2010
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2A9W
 | | E. coli TS complexed with dUMP and inhibitor GA9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | Deposit date: | 2005-07-12 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
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3OY4
 | | Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir. | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 PROTEASE, ... | | Authors: | Schiffer, C.A, Nalivaika, E.A, Bandaranayake, R.M. | | Deposit date: | 2010-09-22 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of HIV-1 L76V Protease in Complex with the Protease Inhibitor Darunavir.
To be Published
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4WTB
 | | BthTX-I, a svPLA2s-like toxin, complexed with zinc ions | | Descriptor: | Basic phospholipase A2 homolog bothropstoxin-1, CHLORIDE ION, SULFATE ION, ... | | Authors: | Borges, R.J, Fontes, M.R.M. | | Deposit date: | 2014-10-29 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Functional and structural studies of a Phospholipase A2-like protein complexed to zinc ions: Insights on its myotoxicity and inhibition mechanism.
Biochim. Biophys. Acta, 1861, 2017
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2L9V
 | | NMR structure of the FF domain L24A mutant's folding transition state | | Descriptor: | Pre-mRNA-processing factor 40 homolog A | | Authors: | Korzhnev, D.M, Vernon, R.M, Religa, T.L, Hansen, A, Baker, D, Fersht, A.R, Kay, L.E. | | Deposit date: | 2011-02-24 | | Release date: | 2011-09-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study.
J.Am.Chem.Soc., 133, 2011
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2LJB
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4X9E
 | | DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, RNA (5'-R(P*CP*CP*C)-3') | | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | | Deposit date: | 2014-12-11 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
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