5ZG1
 
 | | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2 | | Descriptor: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2018-03-07 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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5ZG0
 | | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1 | | Descriptor: | 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2018-03-07 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
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5WB9
 | | Crystal structure of CD4 binding site antibody N60P23 in complex with HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Gohain, N, Tolbert, W, Pazgier, M. | | Deposit date: | 2017-06-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of Near-Pan-neutralizing Antibodies against HIV-1 by Deconvolution of Plasma Humoral Responses.
Cell, 173, 2018
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5W9S
 | | Zinc finger of human CXXC5 in complex with CpG DNA | | Descriptor: | CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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5ZUN
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 3l | | Descriptor: | (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Sogabe, S, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2018-05-08 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors
J. Med. Chem., 61, 2018
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5WPB
 | | Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-04 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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5X54
 | | Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide | | Descriptor: | ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | Deposit date: | 2017-02-14 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
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5XGR
 | | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein | | 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 protein S1 | | Authors: | Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F. | | Deposit date: | 2017-04-16 | | Release date: | 2017-05-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
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5ZQG
 | | Complex structure of PEDV 3CLpro mutant (C144A) with NEMO-231 peptite substrate | | Descriptor: | Non-structural protein, PEPTIDE LEU-ALA-GLN-LEU-GLN-VAL-ALA | | Authors: | Gang, Y, Chen, J.Y, Dang, W, Xiao, S.B, Peng, G.Q. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Complex structure of PEDV 3CLpro mutant (C144A) with NEMO peptite substrate
To Be Published
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6AC3
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5XKU
 | | Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ... | | Authors: | Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q. | | Deposit date: | 2017-05-09 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
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6AAA
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6AIB
 | | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | | Descriptor: | DEAD-box ATP-dependent RNA helicase CshA | | Authors: | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4LTV
 | | Crystal structure of epi-isozizaene synthase from Streptomyces coelicolor A3(2) | | Descriptor: | Epi-isozizaene synthase, SULFATE ION | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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4M1A
 | | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | | Descriptor: | Hypothetical protein | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
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4KZS
 | | Crystal structure of the secreted protein HP1454 from the human pathogen Helicobacter pylori | | Descriptor: | LPP20 lipofamily protein, PENTAETHYLENE GLYCOL | | Authors: | Quarantini, S, Cendron, L, Fischer, W, Zanotti, G. | | Deposit date: | 2013-05-30 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the secreted protein HP1454 from the human pathogen Helicobacter pylori.
Proteins, 82, 2014
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4KZI
 | | Crystal Structure of TR3 LBD in complex with DPDO | | Descriptor: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | | Deposit date: | 2013-05-30 | | Release date: | 2013-12-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
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4LK5
 | | Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10 | | Descriptor: | enoyl-CoA hydratase | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-07-06 | | Release date: | 2013-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10
To be Published
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4LG8
 | | Crystal structure of PRPF19 WD40 repeats | | Descriptor: | Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION | | Authors: | Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-27 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
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4LKB
 | | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 | | Descriptor: | GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-07-07 | | Release date: | 2013-07-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
To be Published
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4LG1
 | | Human Methyltransferase-Like Protein 21D | | Descriptor: | 1,2-ETHANEDIOL, Protein-lysine methyltransferase METTL21D, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Zeng, H, Fenner, M, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-27 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Human Methyltransferase-Like Protein 21D in Complex with SAM
To be Published
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4NXO
 | | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2013-12-09 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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4NW3
 | | Crystal structure of MLL CXXC domain in complex with a CpG DNA | | Descriptor: | 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', Histone-lysine N-methyltransferase 2A, ZINC ION | | Authors: | Bian, C, Tempel, W, Chao, X, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-05 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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4O64
 | | Zinc fingers of KDM2B | | Descriptor: | Lysine-specific demethylase 2B, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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4LZ3
 | | F95H Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, HYDROGENPHOSPHATE ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-31 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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