3S3X
| Structure of chicken acid-sensing ion channel 1 AT 3.0 A resolution in complex with psalmotoxin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, neuronal, ... | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun, 3, 2012
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1JPX
| Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Wild type. | Descriptor: | gp41 envelope protein | Authors: | Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M. | Deposit date: | 2001-08-03 | Release date: | 2002-04-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex. J.Biol.Chem., 277, 2002
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5S2N
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1787627869 | Descriptor: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.133 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4QGW
| Crystal sturcture of the R132K:R111L:L121D mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.77 angstrom resolution | Descriptor: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2 | Authors: | Nosrati, M, Yapici, I, Geiger, J.H. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | "Turn-on" protein fluorescence: in situ formation of cyanine dyes. J.Am.Chem.Soc., 137, 2015
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5S1O
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928 | Descriptor: | 2H-pyrazolo[3,4-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4HS6
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5S32
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781943 | Descriptor: | N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.166 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4Q4J
| Structure of crosslinked TM287/288_S498C_S520C mutant | Descriptor: | ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 | Authors: | Hohl, M, Schoeppe, J, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2014-04-14 | Release date: | 2014-07-16 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Proc.Natl.Acad.Sci.USA, 111, 2014
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5S2C
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45612755 | Descriptor: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.092 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4QH4
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5S3I
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z50145861 | Descriptor: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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6K2R
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6K31
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3FYR
| Crystal structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis | Descriptor: | Sporulation inhibitor sda | Authors: | Jacques, D.A, Streamer, M, King, G.F, Guss, J.M, Trewhella, J, Langley, D.B. | Deposit date: | 2009-01-23 | Release date: | 2009-06-23 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis and insights into its solution state Acta Crystallogr.,Sect.D, 65, 2009
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4Q6M
| Structural analysis of the apo-form of Helicobacter pylori Csd4, a D,L-carboxypeptidase | Descriptor: | CALCIUM ION, Conserved hypothetical secreted protein, GLYCEROL | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | Deposit date: | 2014-04-23 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape Acta Crystallogr.,Sect.D, 70, 2014
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3FZ0
| Inosine-Guanosine Nucleoside Hydrolase (IG-NH) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Nucleoside hydrolase, ... | Authors: | Vandemeulebroucke, A, Minici, C, Bruno, I, Muzzolini, L, Tornaghi, P, Parkin, D.W, Schramm, V.L, Versees, W, Steyaert, J, Degano, M. | Deposit date: | 2009-01-23 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei Biochemistry, 49, 2010
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4KEU
| Crystal structure of SsoPox W263M | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | Deposit date: | 2013-04-26 | Release date: | 2013-10-02 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Plos One, 8, 2013
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3VJH
| Human PPAR GAMMA ligand binding domain in complex with JKPL35 | Descriptor: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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3RW7
| Structure of N-terminal domain of nuclear RNA export factor TAP | Descriptor: | Nuclear RNA export factor 1 | Authors: | Teplova, M, Khin, N.W, Wohlbold, L, Izaurralde, E, Patel, D.J. | Deposit date: | 2011-05-07 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-function studies of nucleocytoplasmic transport of retroviral genomic RNA by mRNA export factor TAP. Nat.Struct.Mol.Biol., 18, 2011
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4PWG
| Crystal structure of V30M mutant human transthyretin complexed with caffeic acid ethyl ester | Descriptor: | CALCIUM ION, Transthyretin, ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | Deposit date: | 2014-03-20 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin J.Med.Chem., 57, 2014
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1JWK
| Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2001-09-04 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457. Biochemistry, 40, 2001
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4Q7K
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3S9G
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2ARY
| Catalytic domain of Human Calpain-1 | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Walker, J.R, Davis, T, Lunin, V, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-22 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structures of Human Calpains 1 and 9 Imply Diverse Mechanisms of Action and Auto-inhibition J.Mol.Biol., 366, 2007
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4Q7L
| Structure of NBD288 of TM287/288 | Descriptor: | NICKEL (II) ION, Uncharacterized ABC transporter ATP-binding protein TM_0288 | Authors: | Bukowska, M.A, Hohl, M, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2014-04-25 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A Transporter Motor Taken Apart: Flexibility in the Nucleotide Binding Domains of a Heterodimeric ABC Exporter. Biochemistry, 54, 2015
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