7GNY
 
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1102357527 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GQI
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z27782662 | | Descriptor: | N-phenylcyclopropanecarboxamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GO1
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1143279263 | | Descriptor: | 1-(3-fluoro-4-methylphenyl)methanesulfonamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GP0
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z385450668 | | Descriptor: | 2-(difluoromethoxy)benzene-1-sulfonamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GNW
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z104475702 | | Descriptor: | 3,4,5-trimethoxybenzoic acid, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GPM
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z979742720 | | Descriptor: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GQ0
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00025345 | | Descriptor: | 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GO7
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1220452176 | | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GQB
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z44548882 | | Descriptor: | 1,1-diphenylmethanamine, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5OJ8
 | | Crystal structure of the KLC1-TPR domain ([A1-B5] fragment) | | Descriptor: | Kinesin light chain 1, PHOSPHATE ION | | Authors: | Nguyen, T.Q, Chenon, M, Vilela, F, Velours, C, Fernandez-Varela, P, Llinas, P, Menetrey, J. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.
PLoS ONE, 12, 2017
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5OJF
 | | Crystal Structure of KLC2-TPR domain (fragment [A1-B6] | | Descriptor: | Kinesin light chain 2 | | Authors: | Nguyen, T.Q, Chenon, M, Vilela, F, Velours, C, Andreani, J, Fernandez-Varela, P, Llinas, P, Menetrey, J. | | Deposit date: | 2017-07-21 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.
PLoS ONE, 12, 2017
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1T2S
 | | Structural basis for 3' end recognition of nucleic acids by the Drosophila Argonaute 2 PAZ domain | | Descriptor: | 5'-D(*CP*TP*CP*AP*C)-3', Argonaute 2 | | Authors: | Lingel, A, Simon, B, Izaurralde, E, Sattler, M. | | Deposit date: | 2004-04-22 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain.
Nat.Struct.Mol.Biol., 11, 2004
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1T2R
 | | Structural basis for 3' end recognition of nucleic acids by the Drosophila Argonaute 2 PAZ domain | | Descriptor: | 5'-R(*CP*UP*CP*AP*C)-3', Argonaute 2 | | Authors: | Lingel, A, Simon, B, Izaurralde, E, Sattler, M. | | Deposit date: | 2004-04-22 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain.
Nat.Struct.Mol.Biol., 11, 2004
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5NUL
 | | CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K) | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R. | | Deposit date: | 1996-12-20 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
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1T61
 | | crystal structure of collagen IV NC1 domain from placenta basement membrane | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vanacore, R.M, Shanmugasundararaj, S, Friedman, D.B, Bondar, O, Hudson, B.G, Sundaramoorthy, M. | | Deposit date: | 2004-05-05 | | Release date: | 2004-09-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The alpha1.alpha2 network of collagen IV. Reinforced stabilization of the noncollagenous domain-1 by noncovalent forces and the absence of Met-Lys cross-links
J.Biol.Chem., 279, 2004
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5O1Q
 | | LysF1 sh3b domain structure | | Descriptor: | sh3b domain | | Authors: | Benesik, M, Novacek, J, Janda, L, Dopitova, R, Pernisova, M, Melkova, K, Tisakova, L, Doskar, J, Zidek, L, Hejatko, J, Pantucek, R. | | Deposit date: | 2017-05-19 | | Release date: | 2017-09-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Role of SH3b binding domain in a natural deletion mutant of Kayvirus endolysin LysF1 with a broad range of lytic activity.
Virus Genes, 54, 2018
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5ONF
 | | The ENTH domain from epsin-1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Epsin-1 | | Authors: | Garcia-Alai, M, GIeras, A, Meijers, R. | | Deposit date: | 2017-08-03 | | Release date: | 2018-03-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Epsin and Sla2 form assemblies through phospholipid interfaces.
Nat Commun, 9, 2018
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5OSI
 | | Structure of retromer VPS29-VPS35C subunits complexed with RidL harpin loop (163-176) | | Descriptor: | 1,2-ETHANEDIOL, Interaptin, SODIUM ION, ... | | Authors: | Romano-Moreno, M, Rojas, A.L, Lucas, M, Isupov, M.N, Hierro, A. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4A8E
 | | The structure of a dimeric Xer recombinase from archaea | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PROBABLE TYROSINE RECOMBINASE XERC-LIKE, ... | | Authors: | Brooks, M.A, ElArnaout, T, Duranda, D, Lisboa, J, Lazar, N, Raynal, B, vanTilbeurgh, H, Serre, M, Quevillon-Cheruel, S. | | Deposit date: | 2011-11-21 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The Carboxy-Terminal Alpha N Helix of the Archaeal Xera Tyrosine Recombinase is a Molecular Switch to Control Site-Specific Recombination.
Plos One, 8, 2013
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4A9C
 | | Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate | | Descriptor: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE, PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2 | | Authors: | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Mills, S.J, Moche, M, Nyman, T, Persson, C, Potter, B.V.L, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P. | | Deposit date: | 2011-11-25 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery.
Acs Chem.Biol., 7, 2012
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1V6M
 | | Peanut Lectin with 9mer peptide (IWSSAGNVA) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION | | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
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1ZGK
 | | 1.35 angstrom structure of the Kelch domain of Keap1 | | Descriptor: | Kelch-like ECH-associated protein 1 | | Authors: | Li, X, Bottoms, C.A, Hannink, M, Beamer, L.J. | | Deposit date: | 2005-04-21 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conserved solvent and side-chain interactions in the 1.35 Angstrom structure of the Kelch domain of Keap1.
Acta Crystallogr.,Sect.D, 61, 2005
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1UUI
 | | NMR structure of a synthetic small molecule, rbt158, bound to HIV-1 TAR RNA | | Descriptor: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM, 5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP* CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C)-3' | | Authors: | Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F. | | Deposit date: | 2003-12-19 | | Release date: | 2004-02-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots"
J.Mol.Biol., 336, 2004
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5RF2
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146 | | Descriptor: | 1-azanylpropylideneazanium, 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: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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5RFG
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide | | 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 (2.32 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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