6J2W
 
 | | The structure of OBA3-OTA complex | | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | | Authors: | Xu, G.H, Li, C.G. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure-guided post-SELEX optimization of an ochratoxin A aptamer.
Nucleic Acids Res., 47, 2019
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6J9P
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6JHD
 | | Solution structure of IFN alpha8 | | Descriptor: | Interferon alpha-8 | | Authors: | Ken-ichi, A, Shigeyuki, M. | | Deposit date: | 2019-02-18 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Determination of solution structure of interferon alpha8:
Novel insights into the preferred interaction with IFNAR2 among its subtypes
To Be Published
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6JCD
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6JT3
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
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6JT9
 | | Crystal Structure of D464A mutant of FGAM Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | | Deposit date: | 2019-04-10 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
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6JTT
 | | MHETase in complex with BHET | | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase, ... | | Authors: | Sagong, H.-Y, Seo, H, Kim, K.-J. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Decomposition of PET film by MHETase using Exo-PETase function
Acs Catalysis, 10, 2020
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6JUD
 | | Radiation damage in Aspergillus oryzae pro-tyrosinase oxygen-bound C92A/H103F mutant | | Descriptor: | COPPER (II) ION, PEROXIDE ION, Tyrosinase | | Authors: | Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S. | | Deposit date: | 2019-04-13 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JUU
 | | Crystal structure of ZAK in complex with compound 6r | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J.Med.Chem., 63, 2020
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6JV0
 | | Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria | | Descriptor: | 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein | | Authors: | Zhuang, N, Li, L, Wu, X, Zhang, Y. | | Deposit date: | 2019-04-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
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6JV4
 | | Crystal structure of metallo-beta-lactamase VMB-1 | | Descriptor: | CITRIC ACID, VMB-1, ZINC ION | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-04-15 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
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6JVN
 | | Crystal structure of human MTH1 in complex with compound MI1020 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | | Deposit date: | 2019-04-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
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6JVX
 | | Crystal structure of RBM38 in complex with RNA | | Descriptor: | RNA (5'-R(*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3'), RNA-binding protein 38, SULFATE ION | | Authors: | Qian, K, Li, M, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2019-04-17 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural basis for mRNA recognition by human RBM38.
Biochem.J., 477, 2020
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6JW4
 | | Degenerate RVD RG forms a distinct loop conformation | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | | Authors: | Liu, L, Yi, C. | | Deposit date: | 2019-04-18 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
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6JWW
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613T triple mutant with STZ-DHP | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-04-21 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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6JXA
 | | Tel1 kinase compact monomer | | Descriptor: | Serine/threonine-protein kinase TEL1 | | Authors: | Xin, J. | | Deposit date: | 2019-04-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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6K3Y
 | | G-quadruplex complex with cyclic dinucleotide 3'-3' cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*TP*TP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3') | | Authors: | Winnerdy, F.R, Heddi, B, Phan, A.T. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a G-Quadruplex Bound to Linear- and Cyclic-Dinucleotides.
J.Am.Chem.Soc., 141, 2019
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6JSX
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6JT2
 | | Structure of human soluble guanylate cyclase in the NO activated state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ... | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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3D9G
 | | Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ... | | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2008-05-27 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
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6JU6
 | | Aspergillus oryzae active-tyrosinase copper-depleted C92A mutant | | Descriptor: | NITRATE ION, Tyrosinase | | Authors: | Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S. | | Deposit date: | 2019-04-13 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JYK
 | | Crystal Structure of C. crescentus free GapR | | Descriptor: | UPF0335 protein CCNA_03428 | | Authors: | Xia, B, Huang, Q. | | Deposit date: | 2019-04-26 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GapR binds DNA through dynamic opening of its tetrameric interface.
Nucleic Acids Res., 48, 2020
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6JYP
 | | Crystal structure of uPA_H99Y in complex with 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-04-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | uPA-HMA
To Be Published
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6JYV
 | | Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1 | | Descriptor: | Probable iron/ascorbate oxidoreductase, SODIUM ION | | Authors: | Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M. | | Deposit date: | 2019-04-28 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
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6JZ5
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