5A3W
| Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2W4H
| Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step | Descriptor: | MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-11-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation. Plos One, 7, 2012
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6W00
| Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein | Descriptor: | Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ... | Authors: | Pholcharee, T, Oyen, D, Wilson, I.A. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum. Nat Commun, 12, 2021
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4H9U
| Structure of Geobacillus kaustophilus lactonase, wild-type with Zn2+ | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | Deposit date: | 2012-09-25 | Release date: | 2012-11-07 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
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5A5I
| Cytochrome 2C9 P450 inhibitor complex | Descriptor: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Skerratt, S.E, de Groot, M.J, Phillips, C. | Deposit date: | 2015-06-18 | Release date: | 2016-08-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
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4GV7
| Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
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2WBC
| REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE | Descriptor: | CHYMOTRYPSIN INHIBITOR | Authors: | Dattagupta, J.K, Podder, A, Chakrabarti, C, Sen, U, Mukhopadhyay, D, Dutta, S.K, Singh, M. | Deposit date: | 1997-11-26 | Release date: | 1998-02-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site. Proteins, 35, 1999
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1J2E
| Crystal structure of Human Dipeptidyl peptidase IV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV | Authors: | Hiramatsu, H, Kyono, K, Higashiyama, Y, Fukushima, C, Shima, H, Sugiyama, S, Inaka, K, Yamamoto, A, Shimizu, R. | Deposit date: | 2002-12-30 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure and function of human dipeptidyl peptidase IV, possessing a unique eight-bladed beta-propeller fold. Biochem.Biophys.Res.Commun., 302, 2003
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4H56
| Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form | Descriptor: | Necrotic enteritis toxin B | Authors: | Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K. | Deposit date: | 2012-09-18 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens. J.Biol.Chem., 288, 2013
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5ZLP
| Crystal structure of glutamine synthetase from helicobacter pylori | Descriptor: | (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Joo, H.K, Lee, J.Y. | Deposit date: | 2018-03-29 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structural Analysis of Glutamine Synthetase from Helicobacter pylori. Sci Rep, 8, 2018
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2CSE
| Features of Reovirus Outer-Capsid Protein mu1 Revealed by Electron and Image Reconstruction of the virion at 7.0-A Resolution | Descriptor: | Minor core protein lambda 3, Sigma 2 protein, guanylyltransferase, ... | Authors: | Zhang, X, Ji, Y, Zhang, L, Harrison, S.C, Marinescu, D.C, Nibert, M.L, Baker, T.S. | Deposit date: | 2005-05-21 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Features of reovirus outer capsid protein mu1 revealed by electron cryomicroscopy and image reconstruction of the virion at 7.0 Angstrom resolution. Structure, 13, 2005
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5AGM
| Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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5AAZ
| TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | Descriptor: | OPTINEURIN, ZINC ION | Authors: | Thurston, T.l, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | Deposit date: | 2015-07-31 | Release date: | 2016-07-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy. Embo J., 35, 2016
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4XI9
| Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Schimpl, M, van Aalten, D.M.F. | Deposit date: | 2015-01-06 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015
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2VUS
| Crystal structure of unliganded NmrA-AreA zinc finger complex | Descriptor: | CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ... | Authors: | Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K. | Deposit date: | 2008-05-30 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area. J.Mol.Biol., 381, 2008
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1JPW
| Crystal Structure of a Human Tcf-4 / beta-Catenin Complex | Descriptor: | BETA-CATENIN, transcription factor 7-like 2 | Authors: | Poy, F, Lepourcelet, M, Shivdasani, R.A, Eck, M.J. | Deposit date: | 2001-08-03 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a human Tcf4-beta-catenin complex. Nat.Struct.Biol., 8, 2001
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4XBM
| X-ray crystal structure of Notch ligand Delta-like 1 | Descriptor: | Delta-like protein 1, alpha-L-fucopyranose | Authors: | Kershaw, N.J, Burgess, A.W, Church, N.L, Luo, C.S, Adam, T.E. | Deposit date: | 2014-12-17 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Notch ligand delta-like1: X-ray crystal structure and binding affinity. Biochem.J., 468, 2015
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4H7M
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1K2U
| Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | Deposit date: | 2001-09-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of rat brain nNOS heme domain To be Published
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2CWR
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2VOX
| An oxidized tryptophan facilitates copper-binding in Methylococcus capsulatus secreted protein MopE. The structure of mercury soaked MopE to 1.9AA | Descriptor: | CALCIUM ION, COPPER (II) ION, MERCURY (II) ION, ... | Authors: | Helland, R, Fjellbirkeland, A, Karlsen, O.A, Ve, T, Lillehaug, J.R, Jensen, H.B. | Deposit date: | 2008-02-22 | Release date: | 2008-03-18 | Last modified: | 2013-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope. J.Biol.Chem., 283, 2008
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6WBQ
| Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-03-27 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
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6VZG
| Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ... | Authors: | Leschziner, A.E, Baker, R.W. | Deposit date: | 2020-02-28 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural insights into assembly and function of the RSC chromatin remodeling complex. Nat.Struct.Mol.Biol., 28, 2021
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6VUI
| Metabolite-bound PreQ1 riboswitch with Mn2+ | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PREQ1 RIBOSWITCH | Authors: | Jenkins, J.L, Wedekind, J.E. | Deposit date: | 2020-02-15 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.681 Å) | Cite: | Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation. Nucleic Acids Res., 48, 2020
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2VOT
| Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | Descriptor: | (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | Tailford, L.N, Offen, W.A, Smith, N, Dumon, C, Moreland, C, Gratien, J, Heck, M.-P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2008-02-20 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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