7ZXA
 
 | | Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-05-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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4XUG
 | | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site. | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-01-25 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
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3ZCV
 | | Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | | Deposit date: | 2012-11-21 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
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4RG2
 | | Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ... | | Authors: | Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.
ACS Chem. Biol., 10, 2015
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5MVV
 | | Crystal structure of Plasmodium falciparum actin I- gelsolin segment 1 -CdATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CADMIUM ION, ... | | Authors: | Panneerselvam, S, Kumpula, E.-P, Kursula, I, Burkhardt, A, Meents, A. | | Deposit date: | 2017-01-17 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
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4FGA
 | | Design of peptide inhibitors of group II phospholipase A2: Crystal structure of the complex of phospholipsae A2 with a designed tripeptide, Ala- Tyr- Lys at 2.3 A resolution | | Descriptor: | AYK, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Sinha, M, Dey, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-04 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of peptide inhibitors of group II phospholipase A2: Crystal structure of the complex of phospholipsae A2 with a designed tripeptide, Ala- Tyr- Lys at 2.3 A resolution
To be Published
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1FSL
 | | FERRIC SOYBEAN LEGHEMOGLOBIN COMPLEXED WITH NICOTINATE | | Descriptor: | LEGHEMOGLOBIN A, NICOTINIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ellis, P.J, Guss, J.M, Freeman, H.C. | | Deposit date: | 1995-12-12 | | Release date: | 1996-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of ferric soybean leghemoglobin a nicotinate at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
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5GJV
 | | Structure of the mammalian voltage-gated calcium channel Cav1.1 complex at near atomic resolution | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N. | | Deposit date: | 2016-07-02 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution
Nature, 537, 2016
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5MWN
 | | Structure of the EAEC T6SS component TssK N-terminal domain in complex with llama nanobodies nbK18 and nbK27 | | Descriptor: | PHOSPHATE ION, Type VI secretion protein, llama nanobody raised against TssK, ... | | Authors: | Cambillau, C, Nguyen, V.S, Spinelli, S, Legrand, P. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
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6B48
 | | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF10 | | Descriptor: | Anti-CRISPR protein AcrF10, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ... | | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | | Deposit date: | 2017-09-25 | | Release date: | 2017-10-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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5MX0
 | | Crystal structure of human fibromodulin | | Descriptor: | CHLORIDE ION, Fibromodulin, NICKEL (II) ION, ... | | Authors: | Paracuellos, P, Hohenester, E. | | Deposit date: | 2017-01-20 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural and functional analysis of two small leucine-rich repeat proteoglycans, fibromodulin and chondroadherin.
Matrix Biol., 63, 2017
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5A14
 | | Human CDK2 with type II inhibitor | | Descriptor: | 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2015-04-27 | | Release date: | 2015-07-22 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
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5A0M
 | | THE CRYSTAL STRUCTURE OF I-SCEI IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF MN | | Descriptor: | 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP)-3', 5'-D(*CP*AP*GP*GP*GP*TP*AP*AP*TP*AP*CP)-3', 5'-D(*CP*CP*CP*TP*AP*GP*CP*GP*TP)-3', ... | | Authors: | Prieto, J, Redondo, P, Merino, N, Villate, M, Blanco, F.J, Molina, R. | | Deposit date: | 2015-04-21 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the I-Scei Nuclease Complexed with its DsDNA Target and Three Catalytic Metal Ions.
Acta Crystallogr.,Sect.F, 72, 2016
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6VY8
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7Q3K
 | | Computationally designed thioredoxin subjected to stability optimizing mutations. | | Descriptor: | SULFATE ION, eMM9 | | Authors: | Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P. | | Deposit date: | 2021-10-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
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4XS1
 | | Salmonella typhimurium AhpC T43V mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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8A1M
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
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4LOK
 | | Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p] | | Descriptor: | 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2013-07-12 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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5GJR
 | | An atomic structure of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2019-10-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
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4CXH
 | | Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | | Descriptor: | 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ... | | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | | Deposit date: | 2014-04-07 | | Release date: | 2014-07-16 | | Last modified: | 2019-06-26 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
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4RE7
 | | Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCIGCGCCGA) | | Descriptor: | 5'-D(*TP*CP*IP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION, Ru(tap)2(dppz) complex | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.181 Å) | | Cite: | The effects of DNA modification on the binding of polypyridyl ruthenium complexes
To be Published
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1CNX
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4CQY
 | | H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin in Complex with Avian Receptor Analogue LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, HAEMAGGLUTININ HA2, ... | | Authors: | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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8A4V
 | | Crystal structure of human cathepsin L with covalently bound E-64 | | Descriptor: | Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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7KMP
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