5ZG1
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![BU of 5zg1 by Molmil](/molmil-images/mine/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
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![BU of 5zg0 by Molmil](/molmil-images/mine/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
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![BU of 5wb9 by Molmil](/molmil-images/mine/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
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![BU of 5w9s by Molmil](/molmil-images/mine/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
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![BU of 5zun by Molmil](/molmil-images/mine/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
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![BU of 5wpb by Molmil](/molmil-images/mine/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
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![BU of 5x54 by Molmil](/molmil-images/mine/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
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![BU of 5xgr by Molmil](/molmil-images/mine/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
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![BU of 5zqg by Molmil](/molmil-images/mine/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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![BU of 6ac3 by Molmil](/molmil-images/mine/6ac3) | |
5XKU
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![BU of 5xku by Molmil](/molmil-images/mine/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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![BU of 6aaa by Molmil](/molmil-images/mine/6aaa) | |
6AIB
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![BU of 6aib by Molmil](/molmil-images/mine/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
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![BU of 4ltv by Molmil](/molmil-images/mine/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
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![BU of 4m1a by Molmil](/molmil-images/mine/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
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![BU of 4kzs by Molmil](/molmil-images/mine/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
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![BU of 4kzi by Molmil](/molmil-images/mine/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
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![BU of 4lk5 by Molmil](/molmil-images/mine/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
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![BU of 4lg8 by Molmil](/molmil-images/mine/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
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![BU of 4lkb by Molmil](/molmil-images/mine/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
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![BU of 4lg1 by Molmil](/molmil-images/mine/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
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![BU of 4nxo by Molmil](/molmil-images/mine/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
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![BU of 4nw3 by Molmil](/molmil-images/mine/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
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![BU of 4o64 by Molmil](/molmil-images/mine/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
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![BU of 4lz3 by Molmil](/molmil-images/mine/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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