6C68
 
 | | MHC-independent t cell receptor A11 | | Descriptor: | T-cell receptor alpha chain, T-cell receptor beta chain | | Authors: | Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155.
J Immunol., 204, 2020
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6GCI
 | | Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier | | Descriptor: | Bongkrekic acid, CARDIOLIPIN, HEXAETHYLENE GLYCOL, ... | | Authors: | Ruprecht, J.J, King, M.S, Pardon, E, Aleksandrova, A.A, Zogg, T, Crichton, P.G, Steyaert, J, Kunji, E.R.S. | | Deposit date: | 2018-04-17 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Molecular Mechanism of Transport by the Mitochondrial ADP/ATP Carrier.
Cell, 176, 2019
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2V9U
 | | Rim domain of main porin from Mycobacteria smegmatis | | Descriptor: | MSPA | | Authors: | Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E. | | Deposit date: | 2007-08-27 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Designed Protein-Protein Association.
Science, 319, 2008
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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5YU5
 | | Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG | | Descriptor: | Pilus assembly protein | | Authors: | Chaurasia, P, Pratap, S, Palva, A, von Ossowski, I, Krishnan, V. | | Deposit date: | 2017-11-20 | | Release date: | 2018-06-20 | | Last modified: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism.
Commun Biol, 1, 2018
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6IGR
 | | Crystal structure of S9 peptidase (S514A mutant in inactive state) from Deinococcus radiodurans R1 | | Descriptor: | Acyl-peptide hydrolase, putative, GLYCEROL | | Authors: | Yadav, P, Gaur, N.K, Goyal, V.D, Kumar, A, Makde, R.D. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
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6FSP
 | | Crystal structure of APRT from Thermus thermophilus | | Descriptor: | PRPP-binding protein, adenine/guanine phosphoribosyltransferase | | Authors: | Timofeev, V.I, Sinitsyna, E.V, Kostromina, M.A, Muravieva, T.I, Makarov, D.A, Mikheeva, O.O, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of APRT from Thermus thermophilus
To Be Published
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6BXX
 | | GYNGFG from low-complexity domain of hnRNPA1, residues 243-248 | | Descriptor: | hnRNPA1 | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-19 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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1KR8
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1FQQ
 | | SOLUTION STRUCTURE OF HUMAN BETA-DEFENSIN-2 | | Descriptor: | BETA-DEFENSIN-2 | | Authors: | Sawai, M.V, Jia, H.P, Liu, L, Aseyev, V, Wiencek, J.M, McCray Jr, P.B, Ganz, T, Kearney, W.R, Tack, B.F. | | Deposit date: | 2000-09-06 | | Release date: | 2001-04-11 | | Last modified: | 2018-10-24 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of human beta-defensin-2 reveals a novel alpha-helical segment.
Biochemistry, 40, 2001
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5FQL
 | | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | | Deposit date: | 2015-12-11 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
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6FXH
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4AGS
 | | Leishmania TDR1 - a unique trimeric glutathione transferase | | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, THIOL-DEPENDENT REDUCTASE 1 | | Authors: | Fyfe, P.K, Westrop, G.D, Silva, A.M, Coombs, G.H, Hunter, W.N. | | Deposit date: | 2012-01-31 | | Release date: | 2012-07-04 | | Last modified: | 2012-08-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Leishmania Tdr1 Structure, a Unique Trimeric Glutathione Transferase Capable of Deglutathionylation and Antimonial Prodrug Activation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4AOC
 | | crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside | | Descriptor: | BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ... | | Authors: | Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A. | | Deposit date: | 2012-03-26 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Glycobiology, 22, 2012
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5U86
 | | Structure of the Aquifex aeolicus LpxC/LPC-069 complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... | | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2016-12-13 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
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6G1G
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6C5N
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1 | | Descriptor: | (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.673 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor
To Be Published
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6G2Y
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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2HCS
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6C7A
 | | Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
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5Z2S
 | | Crystal structure of DUX4-HD2 domain | | Descriptor: | Double homeobox protein 4 | | Authors: | Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
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5Z35
 | | Structure of Y68F mutant metal free periplasmic metal binding protein from candidatus liberibacter asiaticus | | Descriptor: | ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ... | | Authors: | Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K. | | Deposit date: | 2018-01-05 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
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6I19
 | | Crystal structure of Chlamydomonas reinhardtii thioredoxin h1 | | Descriptor: | Thioredoxin H-type | | Authors: | Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J. | | Deposit date: | 2018-10-27 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.378 Å) | | Cite: | Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties.
Antioxidants (Basel), 7, 2018
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6C7X
 | | Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine | | Descriptor: | 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ... | | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
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1RSI
 | | DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | | Descriptor: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | Deposit date: | 2003-12-09 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
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