6HYR
 
 | | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Q193C+MMTS | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2018-10-22 | | Release date: | 2018-12-19 | | Last modified: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5RFL
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389 | | Descriptor: | 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | 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. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
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5RFZ
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-chloropyridin-3-yl)acetamide | | Authors: | 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. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | 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 | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | | Authors: | 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) | | Deposit date: | 2008-05-28 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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. | | Descriptor: | CHLORIDE ION, N,N,N-trimethyl-histidine, SODIUM ION, ... | | Authors: | Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. | | Deposit date: | 2018-08-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.831 Å) | | Cite: | 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 | | Descriptor: | POTASSIUM ION, arsenate reductase | | Authors: | Messens, J, Martins, J.C, Van Belle, K, Brosens, E, Desmyter, A, De Gieter, M, Wieruszeski, J.M, Willem, R, Wyns, L, Zegers, I. | | Deposit date: | 2002-04-21 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 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 | | Descriptor: | Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Huang, Z, Chen, H, Mohammadi, M. | | Deposit date: | 2013-04-10 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3405 Å) | | Cite: | 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) | | Descriptor: | 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | 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. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-15 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | 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 | | Descriptor: | Monomeric Azami Green | | Authors: | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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 | | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | | Authors: | Jebara, F, Patra, M, Azem, A, Hirsch, J. | | Deposit date: | 2018-10-03 | | Release date: | 2020-04-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of the WT human mitochondrial football Hsp60-Hsp10(ADPBeFx)14 complex
Nat Commun, 2020
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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) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | | Authors: | 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. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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2MXB
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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 | | Descriptor: | Proline racemase | | Authors: | 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) | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DR-1 beta chain, ... | | Authors: | Petersson, K, Thunnissen, M, Forsberg, G, Walse, B. | | Deposit date: | 2002-05-06 | | Release date: | 2002-12-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | 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 | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M. | | Deposit date: | 2012-09-20 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | | Authors: | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | | Deposit date: | 2013-04-19 | | Release date: | 2013-10-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2010-10-24 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | 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 | | Descriptor: | PLATINUM (II) ION, Protein C10C5.1, isoform i | | Authors: | Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C. | | Deposit date: | 2014-05-14 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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 | | Descriptor: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | | Authors: | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-23 | | Last modified: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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3DEY
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1LPU
 | | Low Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays | | Descriptor: | BENZAMIDINE, Protein kinase CK2 | | Authors: | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | | Deposit date: | 2002-05-08 | | Release date: | 2002-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | 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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3PBH
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3PC2
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4PSH
 | | Structure of holo ArgBP from T. maritima | | Descriptor: | ABC-type transporter, periplasmic subunit family 3, ARGININE | | Authors: | Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L. | | Deposit date: | 2014-03-07 | | Release date: | 2014-07-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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