4JG6
 
 | | RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide | | Descriptor: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION | | Authors: | Miller, R.M, Paavilainen, V.O, Krishnan, S, Serafimova, I.M, Taunton, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-04-10 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Electrophilic fragment-based design of reversible covalent kinase inhibitors.
J.Am.Chem.Soc., 135, 2013
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2G86
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2G8D
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3B23
 | | Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors | | Descriptor: | Thrombin heavy chain, Thrombin light chain, Variegin | | Authors: | Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. | | Deposit date: | 2011-07-20 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
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2MWK
 | | Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1, Ser3, and Ser14 | | Descriptor: | Exoglucanase 1, alpha-D-mannopyranose | | Authors: | Happs, R.M, Chen, L, Resch, M.G, Davis, M.F, Beckham, G.T, Tan, Z, Crowley, M.F. | | Deposit date: | 2014-11-12 | | Release date: | 2015-09-02 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | O-glycosylation effects on family 1 carbohydrate-binding module solution structures.
Febs J., 282, 2015
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2AQ9
 | | Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Williams, A.H, Immormino, R.M, Gewirth, D.T, Raetz, C.R. | | Deposit date: | 2005-08-17 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GQP
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2H5F
 | | Denmotoxin: A the three-finger toxin from colubrid snake Boiga dendrophila with bird-specific activity | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Pawlak, J, Kini, R.M, Stura, E.A. | | Deposit date: | 2006-05-26 | | Release date: | 2006-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Denmotoxin, a three-finger toxin from the colubrid snake Boiga dendrophila (Mangrove Catsnake) with bird-specific activity.
J.Biol.Chem., 281, 2006
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2JX6
 | | Structure and membrane interactions of the antibiotic peptide dermadistinctin k by solution and oriented 15N and 31P solid-state NMR spectroscopy | | Descriptor: | Dermadistinctin-K | | Authors: | Mendonca Moraes, C, Verly, R.M, Resende, J.M, Bemquerer, M.P, Pilo-Veloso, D, Valente, A, Almeida, F.C.L, Bechinger, B. | | Deposit date: | 2007-11-08 | | Release date: | 2008-11-11 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy
Biophys.J., 96, 2009
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2GFD
 | | GRP94 in complex with the novel HSP90 Inhibitor Radamide | | Descriptor: | Endoplasmin, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE, PENTAETHYLENE GLYCOL, ... | | Authors: | Immormino, R.M, Gewirth, D.T. | | Deposit date: | 2006-03-21 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
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3R58
 | | AKR1C3 complex with naproxen | | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | Authors: | Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. | | Deposit date: | 2011-03-18 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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1PTH
 | | The Structural Basis of Aspirin Activity Inferred from the Crystal Structure of Inactivated Prostaglandin H2 Synthase | | Descriptor: | 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-04-11 | | Release date: | 1996-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The structural basis of aspirin activity inferred from the crystal structure of inactivated prostaglandin H2 synthase.
Nat.Struct.Biol., 2, 1995
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2BCE
 | | CHOLESTEROL ESTERASE FROM BOS TAURUS | | Descriptor: | CHOLESTEROL ESTERASE | | Authors: | Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. | | Deposit date: | 1998-01-28 | | Release date: | 1999-02-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation.
Biochemistry, 37, 1998
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6M9U
 | | Structure of the apo-form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M. | | Deposit date: | 2018-08-24 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32.
J.Biol.Chem., 294, 2019
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2AID
 | | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | | Deposit date: | 1997-04-17 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
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2JR3
 | | Antibacterial Peptide from Eggshell Matrix: Structure and Self-assembly of beta-defensin Like Peptide from the Chinese Soft-shelled Turtle Eggshell | | Descriptor: | Pelovaterin | | Authors: | Vivekanandan, S, Lakshminarayanan, R, Jois, S.D.S, Perumal Samy, R, Banerjee, Y, Chi-Jin, E.O, Teo, K.W, Kini, R.M, Valiyaveettil, S. | | Deposit date: | 2007-06-20 | | Release date: | 2008-05-27 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure, self-assembly, and dual role of a beta-defensin-like peptide from the Chinese soft-shelled turtle eggshell matrix.
J.Am.Chem.Soc., 130, 2008
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3DKV
 | | Crystal structure of adenylate kinase variant AKlse1 | | Descriptor: | 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | | Authors: | Bannen, R.M, Bianchetti, C.M, Bingman, C.A, Bitto, E.B. | | Deposit date: | 2008-06-26 | | Release date: | 2009-06-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of adenylate kinase variant AKlse1.
To be Published
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2FWZ
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3DM5
 | | Structures of SRP54 and SRP19, the two proteins assembling the ribonucleic core of the Signal Recognition Particle from the archaeon Pyrococcus furiosus. | | Descriptor: | ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Egea, P.F, Napetschnig, J, Walter, P, Stroud, R.M. | | Deposit date: | 2008-06-30 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structures of SRP54 and SRP19, the two proteins that organize the ribonucleic core of the signal recognition particle from Pyrococcus furiosus.
Plos One, 3, 2008
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2GF7
 | | Double tudor domain structure | | Descriptor: | Jumonji domain-containing protein 2A, SULFATE ION | | Authors: | Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M. | | Deposit date: | 2006-03-21 | | Release date: | 2006-05-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A
Science, 312, 2006
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1BBC
 | | STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION | | Descriptor: | PHOSPHOLIPASE A2 | | Authors: | Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D. | | Deposit date: | 1992-05-04 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
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3DL0
 | | Crystal structure of adenylate kinase variant AKlse3 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bannen, R.M, Bianchetti, C.M, Bingman, C.A, McCoy, J.G. | | Deposit date: | 2008-06-26 | | Release date: | 2009-06-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Effectiveness and limitations of local structural entropy optimization in the thermal stabilization of mesophilic and thermophilic adenylate kinases.
Proteins, 82, 2014
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3PQD
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3DZE
 | | Crystal structure of bovine coupling Factor B bound with cadmium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ... | | Authors: | Lee, J.K, Stroud, R.M, Belogrudov, G.I. | | Deposit date: | 2008-07-29 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2GF1
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