6OM2
 
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1GDQ
 | | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | | Deposit date: | 2000-09-28 | | Release date: | 2001-02-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
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1R7O
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1CE8
 | | CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, INOSINIC ACID, ... | | Authors: | Thoden, J.B, Raushel, F.M, Holden, H.M. | | Deposit date: | 1999-03-18 | | Release date: | 1999-07-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The binding of inosine monophosphate to Escherichia coli carbamoyl phosphate synthetase.
J.Biol.Chem., 274, 1999
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1FY4
 | | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | | Deposit date: | 2000-09-28 | | Release date: | 2001-02-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
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1FZB
 | | CRYSTAL STRUCTURE OF CROSSLINKED FRAGMENT D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ... | | Authors: | Spraggon, G, Everse, S.J, Doolittle, R.F. | | Deposit date: | 1997-08-05 | | Release date: | 1997-12-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin.
Nature, 389, 1997
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3LSX
 | | Piracetam bound to the ligand binding domain of GluA3 | | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, GluA3 S1S2 domain, ... | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2010-02-13 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
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4L2N
 | | Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... | | Authors: | Liu, F, Liu, A. | | Deposit date: | 2013-06-04 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
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3LSF
 | | Piracetam bound to the ligand binding domain of GluA2 | | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
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2WO1
 | | Crystal Structure of the EphA4 Ligand Binding Domain | | Descriptor: | EPHRIN TYPE-A RECEPTOR, N-PROPANOL | | Authors: | Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 2009-07-21 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling
Structure, 17, 2009
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5Y2Y
 | | Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand | | Descriptor: | 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Lee, H, Kang, M, Rhee, H, Lee, C. | | Deposit date: | 2017-07-27 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides
Chem. Commun. (Camb.), 53, 2017
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6BDE
 | | Crystal structure of Fe(II) unliganded H-NOX protein mutant A71G from K. algicida | | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | | Deposit date: | 2017-10-22 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.
ACS Chem. Biol., 13, 2018
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3PXR
 | | Apo CDK2 crystallized from Jeffamine | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein kinase 2 | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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3PY0
 | | CDK2 in complex with inhibitor SU9516 | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Cell division protein kinase 2, ... | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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7NIZ
 | | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
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3LSL
 | | Piracetam bound to the ligand binding domain of GluA2 (flop form) | | Descriptor: | 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.122 Å) | | Cite: | Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
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8CRI
 | | Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ... | | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | Deposit date: | 2023-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4Q9Q
 | | Crystal structure of an RNA aptamer bound to bromo-ligand analog in complex with Fab | | Descriptor: | (5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, Fab BL3-6, HEAVY CHAIN, ... | | Authors: | Huang, H, Suslov, N.B, Li, N.-S, Shelke, S.A, Evans, M.E, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | | Deposit date: | 2014-05-01 | | Release date: | 2014-06-18 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore.
Nat.Chem.Biol., 10, 2014
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3PXY
 | | CDK2 in complex with inhibitor JWS648 | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION | | Authors: | Han, H, Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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3PY5
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6BDD
 | | Crystal structure of Fe(II) unliganded H-NOX protein from K. algicida | | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | | Deposit date: | 2017-10-22 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.
ACS Chem. Biol., 13, 2018
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6HCL
 | | Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2018-08-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
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6IA1
 | | urate oxidase under 120 bar of argon | | Descriptor: | 8-AZAXANTHINE, ACETATE ION, ARGON, ... | | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | | Deposit date: | 2018-11-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
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2BOK
 | | Factor Xa - cation | | Descriptor: | COAGULATION FACTOR X, SODIUM ION, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM | | Authors: | Morgenthaler, M, Schaerer, K, Paulini, R, Obst-Sander, U, Banner, D.W, Schlatter, D, Benz, J, Stihle, M, Diederich, F. | | Deposit date: | 2005-04-12 | | Release date: | 2005-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
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7NWZ
 | | ALK:ALKAL2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALK and LTK ligand 2, ALK tyrosine kinase receptor | | Authors: | De Munck, S, Savvides, S.N. | | Deposit date: | 2021-03-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.17 Å) | | Cite: | Structural basis of cytokine-mediated activation of ALK family receptors.
Nature, 600, 2021
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