3BIR
 
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7GRP
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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3B6P
 | | Structure of TREX1 in complex with a nucleotide and inhibitor ions (sodium and zinc) | | Descriptor: | SODIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1, ... | | Authors: | Brucet, M, Querol-Audi, J, Fita, I, Celada, A. | | Deposit date: | 2007-10-29 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical studies of TREX1 inhibition by metals. Identification of a new active histidine conserved in DEDDh exonucleases.
Protein Sci., 17, 2008
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6N2J
 | | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | | Descriptor: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Vigers, G.P. | | Deposit date: | 2018-11-13 | | Release date: | 2018-12-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.
ACS Med Chem Lett, 9, 2018
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1PJA
 | | The crystal structure of palmitoyl protein thioesterase-2 reveals the basis for divergent substrate specificities of the two lysosomal thioesterases (PPT1 and PPT2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Palmitoyl-protein thioesterase 2 precursor | | Authors: | Calero, G, Gupta, P, Nonato, M.C, Tandel, S, Biehl, E.R, Hofmann, S.L, Clardy, J. | | Deposit date: | 2003-06-02 | | Release date: | 2003-09-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of palmitoyl protein thioesterase-2 (PPT2) reveals the basis for divergent substrate specificities of the two lysosomal thioesterases, PPT1 and PPT2.
J.Biol.Chem., 278, 2003
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1U76
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2XYW
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7H3H
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57472297 (A71EV2A-x0395) | | Descriptor: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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4P0I
 | | Structure of the PBP NocT | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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4CJ0
 | | Crystal structure of CelD in complex with affitin E12 | | Descriptor: | CALCIUM ION, E12 AFFITIN, ENDOGLUCANASE D, ... | | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | | Deposit date: | 2013-12-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins)
Plos One, 9, 2014
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2V1F
 | | Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 8.7 | | Descriptor: | GLYCEROL, HYDROXIDE ION, MYOGLOBIN, ... | | Authors: | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | Deposit date: | 2007-05-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
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1HI2
 | | Eosinophil-derived Neurotoxin (EDN) - Sulphate Complex | | Descriptor: | EOSINOPHIL-DERIVED NEUROTOXIN, SULFATE ION | | Authors: | Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R. | | Deposit date: | 2001-01-02 | | Release date: | 2001-05-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
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1EGV
 | | CRYSTAL STRUCTURE OF THE DIOL DEHYDRATASE-ADENINYLPENTYLCOBALAMIN COMPLEX FROM KLEBSELLA OXYTOCA UNDER THE ILLUMINATED CONDITION. | | Descriptor: | CO-(ADENIN-9-YL-PENTYL)-COBALAMIN, POTASSIUM ION, PROPANEDIOL DEHYDRATASE, ... | | Authors: | Masuda, J, Shibata, N, Toraya, T, Morimoto, Y, Yasuoka, N. | | Deposit date: | 2000-02-17 | | Release date: | 2001-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | How a protein generates a catalytic radical from coenzyme B(12): X-ray structure of a diol-dehydratase-adeninylpentylcobalamin complex.
Structure Fold.Des., 8, 2000
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3CWF
 | | Crystal structure of PAS domain of two-component sensor histidine kinase | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase synthesis sensor protein phoR | | Authors: | Chang, C, Tesar, C, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-21 | | Release date: | 2008-05-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Extracytoplasmic PAS-like domains are common in signal transduction proteins.
J.Bacteriol., 192, 2010
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5S74
 | | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain | | Descriptor: | 1,2-ETHANEDIOL, 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: | 2020-11-23 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain
To Be Published
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6N8M
 | | Cryo-EM structure of pre-Lsg1 (PL) pre-60S ribosomal subunit | | Descriptor: | 5.8S RNA, 5S rRNA, 60S ribosomal export protein NMD3, ... | | Authors: | Zhou, Y, Musalgaonkar, S, Johnson, A.W, Taylor, D.W. | | Deposit date: | 2018-11-29 | | Release date: | 2019-03-13 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Tightly-orchestrated rearrangements govern catalytic center assembly of the ribosome.
Nat Commun, 10, 2019
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2V25
 | | Structure of the Campylobacter jejuni antigen Peb1A, an aspartate and glutamate receptor with bound aspartate | | Descriptor: | ASPARTIC ACID, MAJOR CELL-BINDING FACTOR, ZINC ION | | Authors: | Muller, A, Dodson, E, del Rocio Leon-Kempis, M, Kelly, D.J, Wilkinson, A.J, Wilson, K.S. | | Deposit date: | 2007-06-01 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A Bacterial Virulence Factor with a Dual Role as an Adhesin and a Solute Binding-Protein: The Crystal Structure at 1.5 A Resolution of the Peb1A Protein from the Food-Borne Human Pathogen Campylobacter Jejuni
J.Mol.Biol., 372, 2007
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2V4M
 | | The isomerase domain of human glutamine-fructose-6-phosphate transaminase 1 (GFPT1) in complex with fructose 6-phosphate | | Descriptor: | CHLORIDE ION, FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE [ISOMERIZING] 1 | | Authors: | Moche, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, S, Schueler, H, Thorsell, A.G, Tresaugues, L, Uppenberg, J, Van Den Berg, S, Welin, M, Wisniewska, M, Weigelt, J, Nordlund, P, Wikstrom, M. | | Deposit date: | 2008-09-26 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The Isomerase Domain of Human Gfpt1 in Complex with Fructose 6-Phosphate
To be Published
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2UZJ
 | | Crystal structure of the mature streptococcal cysteine protease, mSpeB | | Descriptor: | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, STREPTOPAIN | | Authors: | Olsen, J.G, Dagil, R, Niclasen, L.M, Soerensen, O.E, Kragelund, B.B. | | Deposit date: | 2008-09-16 | | Release date: | 2009-09-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the Mature Streptococcal Cysteine Protease Exotoxin Mspeb in its Active Dimeric Form.
J.Mol.Biol., 393, 2009
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2UXL
 | | X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 10 in the neutral state, 2nd dataset | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Koepke, J, Diehm, R, Fritzsch, G. | | Deposit date: | 2007-03-28 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
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5S48
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982125 | | Descriptor: | 1~{H}-pyridin-2-one, 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: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.074 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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3GTU
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4D0P
 | | Crystal structure of human CSN4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COP9 SIGNALOSOME COMPLEX SUBUNIT 4, ... | | Authors: | Bunker, R.D, Lingaraju, G.M, Thoma, N.H. | | Deposit date: | 2014-04-29 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Cop9 Signalosome
Nature, 512, 2014
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7H2O
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257 | | Descriptor: | DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
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6N83
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ... | | Authors: | Park, J, Schilling, M.A, Berghuis, A.M. | | Deposit date: | 2018-11-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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