1PTS
 
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4B7V
 | | Structure of wild type Pseudomonas aeruginosa FabF (KASII) | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION | | Authors: | Lecker, L, Baum, B, Zoltner, M, Hunter, W.N. | | Deposit date: | 2012-08-22 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form
Acta Crystallogr.,Sect.F, 71, 2015
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3RB9
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7NWL
 | | Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-5, ... | | Authors: | Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N. | | Deposit date: | 2021-03-17 | | Release date: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
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4GUY
 | | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
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1MXZ
 | | crystal titration experiments (AMPA co-crystals soaked in 1 uM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003
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5NLK
 | | Crystal structure of CREBBP bromodomain complexd with US13A | | Descriptor: | CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
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7NXD
 | | Cryo-EM structure of human integrin alpha5beta1 in the half-bent conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N. | | Deposit date: | 2021-03-18 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
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4PP8
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6GBE
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8VAE
 | | Cryogenic electron microscopy structure of human serum albumin in complex with salicylic acid | | Descriptor: | 2-HYDROXYBENZOIC ACID, Serum albumin | | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2023-12-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
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8VAF
 | | Cryogenic electron microscopy structure of apo human serum albumin | | Descriptor: | Serum albumin | | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2023-12-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
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8VAC
 | | Cryogenic electron microscopy structure of human serum albumin in complex with teniposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, Serum albumin | | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2023-12-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
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2NYJ
 | | Crystal structure of the ankyrin repeat domain of TRPV1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Jin, X, Gaudet, R. | | Deposit date: | 2006-11-20 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
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6GBD
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1MY1
 | | crystal titration experiments (AMPA co-crystals soaked in 10 nM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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6MX0
 | | Crystal structure of human STING apoprotein (G230A, H232R, R293Q) | | Descriptor: | CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Lesburg, C.A, Siu, T, Ho, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
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5C9Y
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1BTE
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE TYPE II ACTIVIN RECEPTOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (ACTIVIN RECEPTOR TYPE II) | | Authors: | Greenwald, J, Fischer, W, Vale, W, Choe, S. | | Deposit date: | 1998-09-01 | | Release date: | 1999-02-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-finger toxin fold for the extracellular ligand-binding domain of the type II activin receptor serine kinase.
Nat.Struct.Biol., 6, 1999
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1Q8N
 | | Solution Structure of the Malachite Green RNA Binding Aptamer | | Descriptor: | MALACHITE GREEN, RNA Aptamer | | Authors: | Flinders, J, DeFina, S.C, Brackett, D.M, Baugh, C, Wilson, C, Dieckmann, T. | | Deposit date: | 2003-08-21 | | Release date: | 2004-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex.
Chembiochem, 5, 2004
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4PUU
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3NMM
 | | Human Hemoglobin A mutant alpha H58W deoxy-form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-22 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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3NML
 | | Sperm whale myoglobin mutant H64W carbonmonoxy-form | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-22 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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1NQ0
 | | TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD | | Descriptor: | ARSENIC, Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | | Authors: | Huber, B.R, Desclozeaux, M, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Baxter, J.D, Ingraham, H.A, Fletterick, R.J. | | Deposit date: | 2003-01-20 | | Release date: | 2003-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain
Mol.Endocrinol., 17, 2003
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4ERW
 | | CDK2 in complex with staurosporine | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | | Authors: | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-04-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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