3RP2
 
 | | THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION | | Descriptor: | RAT MAST CELL PROTEASE II | | Authors: | Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B. | | Deposit date: | 1984-09-10 | | Release date: | 1984-10-29 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of rat mast cell protease II at 1.9-A resolution.
Biochemistry, 27, 1988
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4AH9
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE, CHLORIDE ION, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-06 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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2CLY
 | | Subcomplex of the stator of bovine mitochondrial ATP synthase | | Descriptor: | ATP SYNTHASE B CHAIN, MITOCHONDRIAL, ATP SYNTHASE COUPLING FACTOR 6, ... | | Authors: | Kane Dickson, V, Silvester, J.A, Fearnley, I.M, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | On the Structure of the Stator of the Mitochondrial ATP Synthase.
Embo J., 25, 2006
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2JJ2
 | | The Structure of F1-ATPase inhibited by quercetin. | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ... | | Authors: | Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2007-07-03 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
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5VCB
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1ZUR
 | | Crystal structure of spin labeled T4 Lysozyme (V131R1F) | | Descriptor: | CHLORIDE ION, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L. | | Deposit date: | 2005-05-31 | | Release date: | 2006-10-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of spin labeled T4 Lysozyme (V131R1F)
To be Published
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3RES
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4A99
 | | STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W. | | Deposit date: | 2011-11-25 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx
Acta Crystallogr.,Sect.D, 69, 2013
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1LGU
 | | T4 Lysozyme Mutant L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
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4EPV
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | 2-(1H-indol-3-ylmethyl)-1H-imidazo[4,5-c]pyridine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4EQZ
 | | Crystal structure of human DOT1L in complex with inhibitor FED2 | | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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1ZSD
 | | Crystal Structure Of HLA-B*3501 Presenting an 11-Mer EBV Antigen EPLPQGQLTAY | | Descriptor: | BZLF1 trans-activator protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Miles, J.J, Elhassen, D, Borg, N.A, Silins, S.L, Tynan, F.E, Burrows, J.M, Purcell, A.W, Kjer-Nielsen, L, Rossjohn, J, Burrows, S.R, McCluskey, J. | | Deposit date: | 2005-05-24 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CTL Recognition of a Bulged Viral Peptide Involves Biased TCR Selection.
J.Immunol., 175, 2005
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1FU4
 | | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | | Descriptor: | GLYCOGEN PHOSPHORYLASE, N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | | Deposit date: | 2000-09-14 | | Release date: | 2000-10-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
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3QZU
 | | Crystal structure of Bacillus subtilis Lipase A 7-fold mutant; the outcome of directed evolution towards thermostability | | Descriptor: | CHLORIDE ION, GLYCEROL, Lipase estA, ... | | Authors: | Pijning, T, Augustyniak, W, Reetz, M.T, Dijkstra, B.W. | | Deposit date: | 2011-03-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: Factors contributing to increased activity retention.
Protein Sci., 21, 2012
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5UVM
 | | HIT family hydrolase from Clostridium thermocellum Cth-393 | | Descriptor: | ADENOSINE, Histidine triad (HIT) protein, UNKNOWN ATOM OR ION, ... | | Authors: | Habel, J, Tempel, W, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2017-02-20 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HIT family hydrolase from Clostridium thermocellum Cth-393
To Be Published
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1YPN
 | | REDUCED FORM HYDROXYMETHYLBILANE SYNTHASE (K59Q MUTANT) CRYSTAL STRUCTURE AFTER 2 HOURS IN A FLOW CELL DETERMINED BY TIME-RESOLVED LAUE DIFFRACTION | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | | Authors: | Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A. | | Deposit date: | 1998-06-26 | | Release date: | 1999-03-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Time-Resolved Structures of Hydroxymethylbilane Synthase (Lys59Gln Mutant) as It Isloaded with Substrate in the Crystal Determined by Laue Diffraction
J.Chem.Soc.,Faraday Trans., 94, 1998
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3WL4
 | | N,N'-diacetylchitobiose deacetylase (Se-derivative) from Pyrococcus furiosus | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Uegaki, K. | | Deposit date: | 2013-11-07 | | Release date: | 2014-05-07 | | Last modified: | 2014-08-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Expression from engineered Escherichia coli chromosome and crystallographic study of archaeal N,N'-diacetylchitobiose deacetylase
Febs J., 281, 2014
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1YUB
 | | SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | RRNA METHYLTRANSFERASE | | Authors: | Yu, L, Petros, A.M, Schnuchel, A, Zhong, P, Severin, J.M, Walter, K, Holzman, T.F, Fesik, S.W. | | Deposit date: | 1997-03-04 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
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4JRR
 | | Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila | | Descriptor: | GLYCEROL, SULFATE ION, Thiol:disulfide interchange protein DsbA | | Authors: | Shumilin, I.A, Jameson-Lee, M, Cymborowski, M, Domagalski, M.J, Chertihin, O, Kpadeh, Z.Z, Yeh, A.J, Hoffman, P.S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-21 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila
To be Published
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3WOO
 | | Crystal structure of the DAP BII hexapeptide complex I | | Descriptor: | Angiotensin II, GLYCEROL, ZINC ION, ... | | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | | Deposit date: | 2013-12-29 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
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5S4H
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | | Descriptor: | 1-carbamoylpiperidine-4-carboxylic acid, 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 (1.175 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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2JPN
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5S4F
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 | | Descriptor: | 1,8-naphthyridine, Non-structural protein 3, SULFATE ION | | 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 (1.131 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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1K0N
 | | Chloride Intracellular Channel 1 (CLIC1) complexed with glutathione | | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1, GLUTATHIONE | | Authors: | Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G. | | Deposit date: | 2001-09-19 | | Release date: | 2001-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
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4EPX
 | | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sun, Q, Burke, J.P, Phan, J, Burns, M.C, Olejniczak, E.T, Waterson, A.G, Lee, T, Rossanese, O.W, Fesik, S.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
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