6FSN
 
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Roversi, P, Le Cornu, J.D, Hill, J, Alonzi, D.S, Zitzmann, N. | | Deposit date: | 2018-02-19 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 2022
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4WVM
 | | Stonustoxin structure | | Descriptor: | Stonustoxin subunit alpha, Stonustoxin subunit beta | | Authors: | Ellisdon, A.M, Panjikar, S, Whisstock, J.C, McGowan, S. | | Deposit date: | 2014-11-06 | | Release date: | 2015-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Stonefish toxin defines an ancient branch of the perforin-like superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1KZW
 | | Solution structure of Human Intestinal Fatty acid binding protein | | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (A54) | | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | | Deposit date: | 2002-02-08 | | Release date: | 2003-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism
Biochemistry, 42, 2003
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4X48
 | | Crystal structure of GluR2 ligand-binding core | | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ... | | Authors: | Pandit, J. | | Deposit date: | 2014-12-02 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
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4X53
 | | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam | | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160 | | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
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4X56
 | | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160 | | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
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4YU5
 | | Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen | | Descriptor: | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, CALCIUM ION, GLYCEROL, ... | | Authors: | Arolas, J.L, Goulas, T, Gomis-Ruth, F.X. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-28 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
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4YU6
 | | Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen | | Descriptor: | ACETONITRILE, CALCIUM ION, Immune inhibitor A, ... | | Authors: | Arolas, J.L, Goulas, T, Gomis-Ruth, F.X. | | Deposit date: | 2015-03-18 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
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4YJY
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6GQ5
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2ALP
 | | REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | | Authors: | Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G. | | Deposit date: | 1985-03-07 | | Release date: | 1985-07-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
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6GQ2
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6GQC
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4JIX
 | | Crystal structure of the metallopeptidase zymogen of Methanocaldococcus jannaschii jannalysin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | | Deposit date: | 2013-03-07 | | Release date: | 2013-06-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases
J.Biol.Chem., 288, 2013
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4JIU
 | | Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin | | Descriptor: | GLYCEROL, Proabylysin, ZINC ION | | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | | Deposit date: | 2013-03-07 | | Release date: | 2013-06-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases
J.Biol.Chem., 288, 2013
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6KMP
 | | 100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease | | Authors: | Das, A, Kovalevsky, A. | | Deposit date: | 2019-07-31 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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7GQU
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQT
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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5T8P
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | | Descriptor: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Smith, M.A, McEwan, P.A. | | Deposit date: | 2016-09-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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6XJJ
 | | Structure of non-heme iron enzyme TropC: Radical tropolone biosynthesis | | Descriptor: | 2-oxoglutarate-dependent dioxygenase tropC, ACETATE ION, FE (III) ION, ... | | Authors: | Mallik, L, Doyon, T.J, Narayan, A.R.H, Koutmos, M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Radical Tropolone Biosynthesis
Chemrxiv, 2020
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1P04
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1P05
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1P06
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1P02
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