4TRY
 
 | | Structure of BACE1 complex with a HEA-type inhibitor | | Descriptor: | Beta-secretase 1, GLU-ILE-TIH-THC-NVA | | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-06-18 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of BACE1 complex with an anti-HMC-type inhibitor
to be published
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5W83
 | | Rpn8/Rpn11 dimer complex | | Descriptor: | 26S proteasome regulatory subunit RPN8, Ubiquitin carboxyl-terminal hydrolase RPN11, ZINC ION | | Authors: | Dong, K.C, Worden, E.J, Martin, A. | | Deposit date: | 2017-06-21 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | An AAA Motor-Driven Mechanical Switch in Rpn11 Controls Deubiquitination at the 26S Proteasome.
Mol. Cell, 67, 2017
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5FRY
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7DAF
 | | IXA in complex with tubulin | | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wu, C, Wang, Y. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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7LWR
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5PZU
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid | | Descriptor: | Fructose-1,6-bisphosphatase 1, {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-18 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
To be published
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5FJQ
 | | Structural and functional analysis of a lytic polysaccharide monooxygenase important for efficient utilization of chitin in Cellvibrio japonicus | | Descriptor: | CARBOHYDRATE BINDING PROTEIN, PUTATIVE, CPB33A, ... | | Authors: | Forsberg, Z, Nelson, C.E, Dalhus, B, Mekasha, S, Loose, J.S.M, Rohr, A.K, Eijsink, V.G.H, Gardner, J.G, Vaaje-Kolstad, G. | | Deposit date: | 2015-10-12 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio Japonicus
J.Biol.Chem., 291, 2016
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5FF8
 | | TDG enzyme-product complex | | Descriptor: | DNA, G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2015-12-18 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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5FZ9
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-12 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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7LXS
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1G92
 | | SOLUTION STRUCTURE OF PONERATOXIN | | Descriptor: | PONERATOXIN | | Authors: | Szolajska, E, Poznanski, J, Ferber, M.L, Michalik, J, Gout, E, Fender, P, Bailly, I, Dublet, B, Chroboczek, J. | | Deposit date: | 2000-11-22 | | Release date: | 2003-11-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Poneratoxin, a neurotoxin from ant venom. Structure and expression in insect cells and construction of a bio-insecticide.
Eur.J.Biochem., 271, 2004
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6CCE
 | | Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A | | Descriptor: | 1,2-ETHANEDIOL, DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
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5WHP
 | | Crystal structure of the segment, NFGTFS, from the A315T familial variant of the low complexity domain of TDP-43, residues 312-317 | | Descriptor: | Segment of TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-07-17 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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7D5A
 | | Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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6S0C
 | | Crystal structure of methionine gamma-lyase from Citrobacter freundii modified by dimethylthiosulfinate | | Descriptor: | Cystathionine gamma-synthase, PYRIDOXAL-5'-PHOSPHATE, TRIETHYLENE GLYCOL | | Authors: | Revtovich, S.V, Morozova, E.A, Nikulin, A.D, Demidkina, T.V. | | Deposit date: | 2019-06-14 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Sulfoxides of sulfur-containing amino acids are suicide substrates of Citrobacter freundii methionine gamma-lyase. Structural bases of the enzyme inactivation.
Biochimie, 168, 2020
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1CCA
 | | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Goodin, D.B, Mcree, D.E. | | Deposit date: | 1993-01-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
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5WEO
 | | Activated GluA2 complex bound to glutamate, cyclothiazide, and STZ in digitonin | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit chimera | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2017-07-10 | | Release date: | 2017-08-02 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
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1JQW
 | | THE 2.3 ANGSTROM RESOLUTION STRUCTURE OF BACILLUS SUBTILIS LUXS/HOMOCYSTEINE COMPLEX | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Autoinducer-2 production protein luxS, ZINC ION | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Hartley, A, Foster, S.J, Horsburgh, M.J, Cox, A.G, McCleod, C.W, Mekhalfia, A, Blackburn, G.M, Rice, D.W, Baker, P.J. | | Deposit date: | 2001-08-09 | | Release date: | 2001-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The 1.2 A structure of a novel quorum-sensing protein, Bacillus subtilis LuxS
J.Mol.Biol., 313, 2001
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2JW5
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6CDF
 | | Human CtBP1 (28-378) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Royer, W.E, Bellesis, A.G. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
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5TEB
 | | Crystal Structure of the TIR domain from the Arabidopsis Thaliana disease resistance protein RPP1 | | Descriptor: | Recognition of Peronospora parasitica 1 | | Authors: | Bentham, A.R, Zhang, X, Croll, T, Williams, S, Kobe, B. | | Deposit date: | 2016-09-20 | | Release date: | 2017-02-01 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Multiple functional self-association interfaces in plant TIR domains.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1BQ6
 | | CHALCONE SYNTHASE FROM ALFALFA WITH COENZYME A | | Descriptor: | CHALCONE SYNTHASE, COENZYME A, SULFATE ION | | Authors: | Ferrer, J.-L, Bowman, M.E, Jez, J, Dixon, R, Noel, J.P. | | Deposit date: | 1998-08-21 | | Release date: | 1999-08-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Nat.Struct.Biol., 6, 1999
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6CDR
 | | Human CtBP1 (28-378) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Royer, W.E, Bellesis, A.G. | | Deposit date: | 2018-02-09 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
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1TAS
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7WU0
 | | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-B3 | | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export.
Nucleic Acids Res., 50, 2022
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