1WRT
 
 | | NMR STUDY OF APO TRP REPRESSOR | | Descriptor: | APO TRP REPRESSOR | | Authors: | Zhao, D, Zheng, Z. | | Deposit date: | 1995-05-12 | | Release date: | 1996-06-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Refined solution structures of the Escherichia coli trp holo- and aporepressor.
J.Mol.Biol., 229, 1993
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5LVX
 | | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | | Descriptor: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | | Deposit date: | 2016-09-14 | | Release date: | 2017-10-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
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1PGE
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-12-02 | | Release date: | 1997-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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4ETC
 | | Lysozyme, room temperature, 24 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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2MUS
 | | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | | Deposit date: | 2014-09-16 | | Release date: | 2017-02-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
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3NC1
 | | Crystal structure of the CRM1-RanGTP complex | | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | | Deposit date: | 2010-06-04 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
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8QPH
 | | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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8QQC
 | | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | | Deposit date: | 2023-10-04 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
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5LPL
 | | Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | | Descriptor: | CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | | Authors: | Wohlwend, D, Huegle, M. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1K54
 | | OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid | | Descriptor: | (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ... | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1PGF
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL | | Descriptor: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC 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: | 1995-12-02 | | Release date: | 1997-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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3NM7
 | | Crystal Structure of Borrelia burgdorferi Pur-alpha | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | Authors: | Graebsch, A, Roche, S, Kostrewa, D, Niessing, D. | | Deposit date: | 2010-06-22 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Of Bits and Bugs - on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
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3O6Y
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-29 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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1K57
 | | OXA 10 class D beta-lactamase at pH 6.0 | | Descriptor: | BETA LACTAMASE OXA-10, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1TOV
 | | Structural genomics of Caenorhabditis elegans: CAP-GLY domain of F53F4.3 | | Descriptor: | Hypothetical protein F53F4.3 in chromosome V, SULFATE ION | | Authors: | Li, S, Finley, J, Liu, Z.J, Qiu, S.H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, Delucas, L.J, Richardson, D, Richardson, J, Wang, B.C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-06-15 | | Release date: | 2004-07-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of the Cytoskeleton-Associated Protein Glycine-Rich (CAP-Gly) Domain
J.Biol.Chem., 277, 2002
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1K56
 | | OXA 10 class D beta-lactamase at pH 6.5 | | Descriptor: | OXA10 beta-lactamase, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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5TQY
 | | CryoEM reconstruction of human IKK1, closed conformation 3 | | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | | Authors: | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | | Deposit date: | 2016-10-24 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
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5LOA
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1ZK1
 | | Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD | | Descriptor: | 1-PHENYLETHANONE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | Deposit date: | 2005-05-02 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
J.Mol.Biol., 349, 2005
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5U1C
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7NRU
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3NXF
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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1KRX
 | | SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE CONTACTS | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | | Deposit date: | 2002-01-10 | | Release date: | 2003-08-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
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3NPV
 | | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | | Descriptor: | deoxyribose phosphate aldolase | | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2010-06-29 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
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2NC2
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