5G1A
 
 | | Bordetella Alcaligenes HDAH bound to PFSAHA | | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
|
|
5HRX
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5E29
 | | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | | Descriptor: | 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ... | | Authors: | Safo, M.K, Deshpande, T.M. | | Deposit date: | 2015-09-30 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry.
Biochemistry, 54, 2015
|
|
4QIR
 | | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-2-(pyridin-3-yl)ethylGlyP[CH2]Phe | | Descriptor: | 3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... | | Authors: | Nocek, B, Joachimiak, A, Berlicki, L, Vassiliou, S, Mucha, A. | | Deposit date: | 2014-06-01 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
|
|
5HVO
 | | Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP and validoxylamine A | | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE | | Authors: | Miao, Y, Brennan, R.G. | | Deposit date: | 2016-01-28 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.467 Å) | | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
|
|
4MQF
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist 2-hydroxysaclofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxysaclofen, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-16 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MQE
 | | Crystal structure of the extracellular domain of human GABA(B) receptor in the apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-16 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
1PJR
 | |
4MR7
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP54626 | | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-17 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MR8
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP35348 | | Descriptor: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-17 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MS3
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the endogenous agonist GABA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-18 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MS1
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist CGP46381 | | Descriptor: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-18 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MR9
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the antagonist SCH50911 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-17 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
4MS4
 | | Crystal structure of the extracellular domain of human GABA(B) receptor bound to the agonist baclofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | | Authors: | Geng, Y, Bush, M, Mosyak, L, Wang, F, Fan, Q.R. | | Deposit date: | 2013-09-18 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural mechanism of ligand activation in human GABA(B) receptor.
Nature, 504, 2013
|
|
1TT8
 | | CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION | | Descriptor: | Chorismate-pyruvate lyase, P-HYDROXYBENZOIC ACID | | Authors: | Gallagher, D.T, Mayhew, M, Holden, M.J, Vilker, V, Howard, A. | | Deposit date: | 2004-06-22 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
|
|
8GAS
 | | vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-23 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G85
 | | vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-17 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G9W
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Changela, A, Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-22 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.66 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G9Y
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Changela, A, Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-22 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.28 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G9X
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Changela, A, Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-22 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
5KTI
 | | Structure of cow mincle complexed with KMJ1 | | Descriptor: | 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
|
|
7XXN
 | | HapR Quadruple mutant, bound to Qstatin | | Descriptor: | 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, GLYCEROL, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
|
|
7XY0
 | | HapR Double mutant Y76F, F171C | | Descriptor: | Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-31 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
|
|
7Y4J
 | | HapR_Triple mutant Y76F, L97I, F171C | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-06-14 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
|
|
7XXS
 | | HapR mutant I141V | | Descriptor: | Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
|
|
