5RF9
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356 | 分子名称: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4K7U
| Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | 登録日 | 2013-04-17 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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5RFL
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389 | 分子名称: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFZ
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-chloropyridin-3-yl)acetamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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3DA2
| X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | 分子名称: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | 著者 | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2008-05-28 | 公開日 | 2008-07-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor. To be Published
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6H9A
| Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine. | 分子名称: | CHLORIDE ION, N,N,N-trimethyl-histidine, SODIUM ION, ... | 著者 | Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. | 登録日 | 2018-08-03 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.831 Å) | 主引用文献 | Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis. J.Am.Chem.Soc., 141, 2019
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1LJL
| Wild Type pI258 S. aureus arsenate reductase | 分子名称: | POTASSIUM ION, arsenate reductase | 著者 | Messens, J, Martins, J.C, Van Belle, K, Brosens, E, Desmyter, A, De Gieter, M, Wieruszeski, J.M, Willem, R, Wyns, L, Zegers, I. | 登録日 | 2002-04-21 | 公開日 | 2002-08-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | All intermediates of the arsenate reductase mechanism, including an intramolecular dynamic disulfide cascade. Proc.Natl.Acad.Sci.USA, 99, 2002
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4K33
| Crystal Structure of FGF Receptor 3 (FGFR3) Kinase Domain Harboring the K650E Mutation, a Gain-of-Function Mutation Responsible for Thanatophoric Dysplasia Type II and Spermatocytic Seminoma | 分子名称: | Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Huang, Z, Chen, H, Mohammadi, M. | 登録日 | 2013-04-10 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3405 Å) | 主引用文献 | Structural Mimicry of A-Loop Tyrosine Phosphorylation by a Pathogenic FGF Receptor 3 Mutation. Structure, 21, 2013
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5RGN
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731) | 分子名称: | 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4PPL
| Crystal structure of eCGP123 H193Q variant at pH 7.5 | 分子名称: | Monomeric Azami Green | 著者 | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | 登録日 | 2014-02-27 | 公開日 | 2015-04-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein. Plos One, 10, 2015
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6HT7
| Crystal structure of the WT human mitochondrial chaperonin (ADP:BeF3)14 complex | 分子名称: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | 著者 | Jebara, F, Patra, M, Azem, A, Hirsch, J. | 登録日 | 2018-10-03 | 公開日 | 2020-04-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Crystal structure of the WT human mitochondrial football Hsp60-Hsp10(ADPBeFx)14 complex Nat Commun, 2020
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2MXB
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5RGS
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-04-07 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4K8L
| Crystal structure of a putative 4-hydroxyproline epimerase/3-hydroxyproline dehydratse from the soil bacterium ochrobacterium anthropi, target efi-506495, disordered loops | 分子名称: | Proline racemase | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glen, A, Chowdhury, S, Evens, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-04-18 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a putative 4-hydroxyproline epimerase/3-hydroxyproline dehydratse from the soil bacterium ochrobacterium anthropi, target efi-506495, disordered loops To be Published
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1LO5
| Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with human MHC class II | 分子名称: | HLA class II histocompatibility antigen, DR alpha chain, DR-1 beta chain, ... | 著者 | Petersson, K, Thunnissen, M, Forsberg, G, Walse, B. | 登録日 | 2002-05-06 | 公開日 | 2002-12-18 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal Structure of a SEA Variant in Complex with MHC Class II Reveals the Ability of SEA to Crosslink MHC Molecules Structure, 10, 2002
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4H7I
| Crystal structure of haloalkane dehalogenase LinB L138I mutant from Sphingobium sp. MI1205 | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M. | 登録日 | 2012-09-20 | 公開日 | 2013-06-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205. J.Bacteriol., 195, 2013
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4K90
| Extracellular metalloproteinase from Aspergillus | 分子名称: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | 著者 | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | 登録日 | 2013-04-19 | 公開日 | 2013-10-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus. Acta Crystallogr.,Sect.D, 69, 2013
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3PDS
| Irreversible Agonist-Beta2 Adrenoceptor Complex | 分子名称: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | 著者 | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | 登録日 | 2010-10-24 | 公開日 | 2011-01-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex Nature, 469, 2011
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4PKE
| The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold | 分子名称: | PLATINUM (II) ION, Protein C10C5.1, isoform i | 著者 | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | 登録日 | 2014-05-14 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold. Structure, 22, 2014
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6HVO
| Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta | 分子名称: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | 著者 | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | 登録日 | 2018-10-11 | 公開日 | 2019-01-23 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA). J.Biol.Chem., 294, 2019
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3PBH
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1LPU
| Low Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays | 分子名称: | BENZAMIDINE, Protein kinase CK2 | 著者 | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | 登録日 | 2002-05-08 | 公開日 | 2002-05-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate. J.Mol.Biol., 347, 2005
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3DEY
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3PC2
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4PSH
| Structure of holo ArgBP from T. maritima | 分子名称: | ABC-type transporter, periplasmic subunit family 3, ARGININE | 著者 | Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L. | 登録日 | 2014-03-07 | 公開日 | 2014-07-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima Plos One, 9, 2014
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