5V2J
 
 | | Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15S), with UDP and 2-bromobenzoic acid | | Descriptor: | 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J. | | Deposit date: | 2017-03-04 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana.
Sci Rep, 7, 2017
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3AC9
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6QYO
 | | Structure of MBP-Mcl-1 in complex with compound 18a | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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7M4W
 | | A. baumannii Ribosome-Eravacycline complex: Empty 70S | | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-03-22 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
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6CMC
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6CT2
 | | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | | Descriptor: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | | Authors: | Ren, B, Peat, T.S. | | Deposit date: | 2018-03-22 | | Release date: | 2018-08-01 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (2.128 Å) | | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
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6QPI
 | | Cryo-EM structure of calcium-free mTMEM16F lipid scramblase in nanodisc | | Descriptor: | Anoctamin-6 | | Authors: | Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C. | | Deposit date: | 2019-02-14 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
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6GST
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | Descriptor: | GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3 | | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | Deposit date: | 1996-01-26 | | Release date: | 1996-11-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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5V6O
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2O5C
 | | Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 5.5 | | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ... | | Authors: | Changela, A, DiGate, R.J, Mondragon, A. | | Deposit date: | 2006-12-05 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
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6R0E
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2O6G
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6CXI
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6CQZ
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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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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7L21
 | | Pyruvate Kinase M2 mutant-N70D | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nandi, S, Dey, M. | | Deposit date: | 2020-12-16 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification of residues involved in allosteric signal transmission from amino acid binding site of pyruvate kinase muscle isoform 2.
Plos One, 18, 2023
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6QRM
 | | HsNMT1 in complex with both MyrCoA and GNCFSKRRAA substrates | | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ... | | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | | Deposit date: | 2019-02-19 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
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5V2C
 | | RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX | | 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: | Wang, J, Wiwczar, J.M, Brudvig, G.W. | | Deposit date: | 2017-03-03 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
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6D21
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5UNF
 | | XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]) | | Descriptor: | Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide | | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | | Deposit date: | 2017-01-30 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
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2PGY
 | | GTB C209A, no Hg | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase | | Authors: | Letts, J.A, Schuman, B. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The effect of heavy atoms on the conformation of the active-site polypeptide loop in human ABO(H) blood-group glycosyltransferase B.
Acta Crystallogr.,Sect.D, 63, 2007
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6D32
 | | Crystal structure of Xenopus Smoothened in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
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5UO2
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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6HDC
 | | Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ... | | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | | Deposit date: | 2018-08-17 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis for ion selectivity in TMEM175 K+channels.
Elife, 9, 2020
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3ABK
 | | Bovine heart cytochrome c oxidase at the NO-bound fully reduced state (50K) | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Ohta, K, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | | Deposit date: | 2009-12-16 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of the NO-bound Cu(B) in bovine cytochrome c oxidase
Acta Crystallogr.,Sect.F, 66, 2010
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