6VGY
| 2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b | Descriptor: | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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6AL2
| Crystal structure of E. coli YidC at 2.8 A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Membrane protein insertase YidC | Authors: | Tanaka, Y, Tsukazaki, T, Izumioka, A, Hamid, A.A, Fujii, A. | Deposit date: | 2018-09-05 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8-angstrom crystal structure of Escherichia coli YidC revealing all core regions, including flexible C2 loop. Biochem. Biophys. Res. Commun., 505, 2018
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8GMO
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8JCR
| Crystal structure of Procerain from Calotropis gigantea (pH 6.0) | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | Authors: | Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D. | Deposit date: | 2023-05-11 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Procerain from Calotropis gigantea To Be Published
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8AJX
| E. coli NfsA with Fumarate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | Authors: | Day, M.A, Jarrom, D, White, S.A, Hyde, E.I. | Deposit date: | 2022-07-28 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate. Proteins, 91, 2023
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4XUA
| Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-01-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B. J.Med.Chem., 58, 2015
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7M3Z
| Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35) | Descriptor: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | Authors: | Rietz, T.A. | Deposit date: | 2021-03-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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6EQC
| Cryo-EM reconstruction of a complex of a binding protein and human adenovirus C5 hexon | Descriptor: | Hexon protein, scFv of 9C12 antibody | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | Deposit date: | 2017-10-12 | Release date: | 2018-02-07 | Last modified: | 2018-02-14 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control. Nat Commun, 9, 2018
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8G55
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7ME4
| Structure of the extracellular WNT-binding module in Drosophila Ror2/Nrk | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITOLEIC ACID, Tyrosine-protein kinase transmembrane receptor Ror2 | Authors: | Mendrola, J.M, Shi, F, Perry, K, Stayrook, S.E, Lemmon, M.A. | Deposit date: | 2021-04-06 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ROR and RYK extracellular region structures suggest that receptor tyrosine kinases have distinct WNT-recognition modes. Cell Rep, 37, 2021
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5K5S
| Crystal structure of the active form of human calcium-sensing receptor extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor. Elife, 5, 2016
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6I2I
| Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Atherton, J.M, Moores, C.A. | Deposit date: | 2018-11-01 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mitotic phosphorylation by NEK6 and NEK7 reduces the microtubule affinity of EML4 to promote chromosome congression. Sci.Signal., 12, 2019
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6ECL
| Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase | Descriptor: | 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2018-08-08 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase To be published
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7ME5
| Structure of the extracellular WNT-binding module in Drl-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tyrosine-protein kinase transmembrane receptor DRL-2 | Authors: | Shi, F, Mendrola, J.M, Perry, K, Stayrook, S.E, Lemmon, M.A. | Deposit date: | 2021-04-06 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ROR and RYK extracellular region structures suggest that receptor tyrosine kinases have distinct WNT-recognition modes. Cell Rep, 37, 2021
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8G54
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5K73
| as-isolated Dbr1 with Fe(II) and Zn(II) | Descriptor: | FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ... | Authors: | Clark, N.E, Taylor, A.B, Hart, P.J. | Deposit date: | 2016-05-25 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures Proc.Natl.Acad.Sci.USA, 2016
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8AMT
| OBD-RepB pMV158 domain | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Machon, C, Amodio, J, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | Deposit date: | 2022-08-04 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein. Nucleic Acids Res., 51, 2023
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6RIV
| Crystal structure of Alopecurus myosuroides GSTF | Descriptor: | GLYCEROL, Glutathione transferase, S-Hydroxy-Glutathione, ... | Authors: | Papageorgiou, A.C, Poudel, N. | Deposit date: | 2019-04-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Comparative structural and functional analysis of phi class glutathione transferases involved in multiple-herbicide resistance of grass weeds and crops. Plant Physiol Biochem., 149, 2020
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4XQ4
| X-ray structure analysis of xylanase - N44D | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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5XOF
| Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide I | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Nitric oxide synthase, ... | Authors: | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, H, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | Deposit date: | 2017-05-28 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor. J. Biol. Chem., 292, 2017
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8U1S
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4XZ0
| ZAP-70-tSH2:compound-A complex | Descriptor: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70 | Authors: | Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A. | Deposit date: | 2015-02-03 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
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6RNG
| Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase | Descriptor: | Fructose-bisphosphate aldolase 6, cytosolic, GLYCINE, ... | Authors: | Shahar, A, Zarivach, R, Skirycz, A, Wojciechowska, I. | Deposit date: | 2019-05-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dipeptide Gly-Pro binds to a glycolytic enzyme fructose bisphosphate aldolase Not Published
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6I5U
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6RKN
| Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-FLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-04-30 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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