7U88
 
 | | Product of 13mer primer with activated G monomer diastereomer 2 | | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine, RNA (5'-R(*(LKC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(G46)P*(G46))-3'), SULFATE ION | | Authors: | Fang, Z, Szostak, J.W. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-15 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension.
J.Am.Chem.Soc., 2024
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3MQB
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4WUV
 | | Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD | | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxycyclohexanecarboxyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2014-11-03 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
To be published
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6PWZ
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2FGG
 | | Crystal Structure of Rv2632c | | Descriptor: | Hypothetical protein Rv2632c/MT2708 | | Authors: | Yu, M, Bursey, E.H, Radhakannan, T, Segelke, B.W, Lekin, T, Toppani, D, Kim, C.Y, Kaviratne, T, Woodruff, T, Terwilliger, T.C, Hung, L.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-12-21 | | Release date: | 2006-02-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Rv2632c
To be Published
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1JXS
 | | Solution Structure of the DNA-Binding Domain of Interleukin Enhancer Binding Factor | | Descriptor: | interleukin enhancer binding factor | | Authors: | Chuang, W.J, Liu, P.P, Li, C, Hsieh, Y.H, Chen, S.W, Chen, S.H, Jeng, W.Y. | | Deposit date: | 2001-09-08 | | Release date: | 2003-03-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the DNA-binding domain of interleukin enhancer binding factor 1 (FOXK1a)
PROTEINS: STRUCT.,FUNCT.,GENET., 49, 2002
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1QTE
 | | CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.90 A RESOLUTION IN COMPLEX WITH A 1,6-ANHYDROMUROTRIPEPTIDE | | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | van Asselt, E.J, Thunnissen, A.-M.W.H, Dijkstra, B.W. | | Deposit date: | 1999-06-27 | | Release date: | 1999-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment.
J.Mol.Biol., 291, 1999
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6Q5R
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL-KgEb | | Descriptor: | CC-Hex*-LL-KgEb, GLYCEROL | | Authors: | Beesley, J.L, Rhys, G.G, Wood, C.W, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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2WIP
 | | STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | | Descriptor: | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-05-14 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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5JH7
 | | Tubulin-Eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
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6NMY
 | | A Cytokine-receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, ... | | Authors: | Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | | Deposit date: | 2019-01-13 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | Signalling conformation of cell surface receptor
To Be Published
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1A3X
 | | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PG, MN2+ AND K+ | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | | Deposit date: | 1998-01-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate.
Structure, 6, 1998
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8BD1
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3ZIF
 | | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | | Deposit date: | 2013-01-09 | | Release date: | 2014-01-22 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates
Virology, 450, 2014
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8C12
 | | Identification of an intermediate activation state of PAK5 reveals a novel mechanism of kinase inhibition. | | Descriptor: | PAK5-Af17, Serine/threonine-protein kinase PAK 5 | | Authors: | Martin, H.L, Turner, A.L, Trinh, C.H, Bayliss, R.W, Tomlinson, D.C. | | Deposit date: | 2022-12-19 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Affimer-mediated locking of p21-activated kinase 5 in an intermediate activation state results in kinase inhibition.
Cell Rep, 42, 2023
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8BLU
 | | The PDZ domains of human SDCBP | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The PDZ domains of human SDCBP
To Be Published
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6FO0
 | | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial compound GSK932121 | | Descriptor: | 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, Chain I/V, Cytochrome b, ... | | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-02-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
IUCrJ, 5, 2018
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4ELF
 | | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl ]prop-2-en-1-one, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bourne, C.R, Barrow, W.W. | | Deposit date: | 2012-04-10 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
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8BNT
 | | The DH domain of ARHGEF2 bound to RhoA | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2022-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The DH domain of ARHGEF2 bound to RhoA
To Be Published
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7TBA
 | | Pentraxin - ligand complex | | Descriptor: | C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid | | Authors: | Shing, K.S.C.T, Morton, C.J, Parker, M.W. | | Deposit date: | 2021-12-21 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
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6ZP1
 | | Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Closed State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. | | Deposit date: | 2020-07-08 | | Release date: | 2020-07-22 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
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6ZTL
 | | E. coli 70S-RNAP expressome complex in collided state bound to NusG | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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8B4A
 | | Nativ complex of PqsE and RhlR with autoinducer C4-HSL | | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ... | | Authors: | Borgert, S.R, Blankenfeldt, W. | | Deposit date: | 2022-09-20 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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19GS
 | | Glutathione s-transferase p1-1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION, GLUTATHIONE, ... | | Authors: | Oakley, A.J, Lo Bello, M, Parker, M.W. | | Deposit date: | 1997-12-14 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The ligandin (non-substrate) binding site of human Pi class glutathione transferase is located in the electrophile binding site (H-site).
J.Mol.Biol., 291, 1999
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6DHF
 | | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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