6Z36
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-05-19 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
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8QDJ
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6Z9J
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6TZH
| ADC-7 in complex with boronic acid transition state inhibitor S06015 | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
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4Q23
| The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | Deposit date: | 2014-04-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates To be Published
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1QVG
| Structure of CCA oligonucleotide bound to the tRNA binding sites of the large ribosomal subunit of Haloarcula marismortui | Descriptor: | 23S ribosomal rna, 50S RIBOSOMAL PROTEIN L10E, 50S ribosomal protein L13P, ... | Authors: | Schmeing, T.M, Moore, P.B, Steitz, T.A. | Deposit date: | 2003-08-27 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of deacylated tRNA mimics bound to the E site of the large ribosomal subunit RNA, 9, 2003
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1LGL
| Solution structure of HERG-specific scorpion toxin BeKm-1 | Descriptor: | BeKm-1 toxin | Authors: | Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V. | Deposit date: | 2002-04-16 | Release date: | 2002-11-20 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1. J.Biol.Chem., 277, 2002
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6Z83
| CK2 alpha bound to chemical probe SGC-CK2-1 | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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6U5E
| RT XFEL structure of CypA solved using celloluse carrier media | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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1QL6
| THE CATALYTIC MECHANISM OF PHOSPHORYLASE KINASE PROBED BY MUTATIONAL STUDIES | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PHOSPHORYLASE KINASE, ... | Authors: | Skamnaki, V.T, Owen, D.J, Noble, M.E.M, Lowe, E.D, Oikonomakos, N.G, Johnson, L.N. | Deposit date: | 1999-08-24 | Release date: | 1999-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytic Mechanism of Phosphorylase Kinase Probed by Mutational Studies. Biochemistry, 38, 1999
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8QB5
| Crystal structure of apo-GltTk obtained with in meso crystallization (P6322 space group) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, Proton/glutamate symporter, ... | Authors: | Marin, E, Guskov, A, Borshchevskiy, V, Kovalev, K. | Deposit date: | 2023-08-24 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of apo-GltTk obtained with in meso crystallization (P6322 space group) To Be Published
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6YV0
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | Descriptor: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruza, R.R, Hillier, J, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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5UKG
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6YUY
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Hillier, J, Ruza, R.R, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6Z9H
| Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant | Descriptor: | 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ... | Authors: | Paakkonen, J, Hakulinen, N, Rouvinen, J. | Deposit date: | 2020-06-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
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6E28
| The CARD9 CARD domain-swapped dimer | Descriptor: | Caspase recruitment domain-containing protein 9 | Authors: | Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J. | Deposit date: | 2018-07-10 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9. J. Biol. Chem., 293, 2018
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1Y3D
| Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | Deposit date: | 2004-11-24 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2 Biochemistry, 44, 2005
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5USH
| Structure of vaccinia virus D8 protein bound to human Fab vv66 | Descriptor: | Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein | Authors: | Zajonc, D.M. | Deposit date: | 2017-02-13 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8. J. Biol. Chem., 293, 2018
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2JEA
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2JE4
| Atomic-resolution crystal structure of chemically-synthesized HIV-1 protease in complex with JG-365 | Descriptor: | ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ... | Authors: | Malito, E, Johnson, E.C.B, Tang, W.J. | Deposit date: | 2007-01-15 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Modular Total Chemical Synthesis of a Human Immunodeficiency Virus Type 1 Protease. J.Am.Chem.Soc., 129, 2007
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5G3G
| Preserving MEtallic Sites Affected by Radiation Damage the CuT2 case in Thermus Thermophilus multicopper Oxidase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E. | Deposit date: | 2016-04-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase To be Published
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6E9R
| DHF46 filament | Descriptor: | DHF46 filament | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | De novo design of self-assembling helical protein filaments. Science, 362, 2018
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2JGZ
| Crystal structure of phospho-CDK2 in complex with Cyclin B | Descriptor: | CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN-B1 | Authors: | Brown, N.R, Petri, E, Lowe, E.D, Skamnaki, V, Johnson, L.N. | Deposit date: | 2007-02-17 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cyclin B and cyclin A confer different substrate recognition properties on CDK2. Cell Cycle, 6, 2007
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2X8R
| The structure of a family GH25 lysozyme from Aspergillus fumigatus | Descriptor: | CHLORIDE ION, GLYCOSYL HYDROLASE | Authors: | Korczynska, J.E, Danielsen, S, Schagerlof, U, Turkenburg, J.P, Davies, G.J, Wilson, K.S, Taylor, E.J. | Deposit date: | 2010-03-11 | Release date: | 2010-09-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of a Family Gh25 Lysozyme from Aspergillus Fumigatus Acta Crystallogr.,Sect.F, 66, 2010
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6TVI
| Salmonella typhimurium mutant neuraminidase (D100S)+ DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, Sialidase | Authors: | Garman, E.F, Salinger, M.T, Murray, J.W, Laver, W.G, Kuhn, P, Vimr, E.R. | Deposit date: | 2020-01-09 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Salmonella typhimurium mutant neuraminidase (D100S)+ DANA To Be Published
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