7W76
 
 | | Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II | | Descriptor: | E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ... | | Authors: | Shi, M, Zhao, J, Xiang, S. | | Deposit date: | 2021-12-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
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4FH7
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol | | Descriptor: | 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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4FH6
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO | | Descriptor: | 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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7QZ6
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7QZ8
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7QZ7
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7QZ9
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7QZ5
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4U5T
 | | Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid | | Descriptor: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper | | Authors: | Stagno, J.R, Ji, X. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.301 Å) | | Cite: | P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
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6TYY
 | | Hedgehog autoprocessing mutant D46H | | Descriptor: | Protein hedgehog | | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | | Deposit date: | 2019-08-09 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Najeeb, J, Zhou, P. | | Deposit date: | 2022-08-17 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | Descriptor: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | Authors: | Wu, Q, Wang, S, Zhou, P. | | Deposit date: | 2018-08-07 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.372 Å) | | Cite: | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
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6GMI
 | | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm. | | Descriptor: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | Authors: | Rebelein, J.G. | | Deposit date: | 2018-05-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
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4ZJW
 | | RORgamma in complex with inverse agonist 16 | | Descriptor: | 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide, Nuclear receptor ROR-gamma | | Authors: | Marcotte, D.J. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
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4ZJR
 | | RORgamma in complex with inverse agonist 48 | | Descriptor: | 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Marcotte, D.J. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
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3RDH
 | | X-ray induced covalent inhibition of 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | | Deposit date: | 2011-04-01 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5UFK
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-04 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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5UF5
 | | Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer) | | Descriptor: | GLYCEROL, effector protein SidK | | Authors: | Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M. | | Deposit date: | 2017-01-03 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
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8SAI
 | | Cryo-EM structure of GPR34-Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | | Deposit date: | 2023-04-01 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5H3R
 | | Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR | | Authors: | Zhu, R, Lou, H, Hao, Z. | | Deposit date: | 2016-10-26 | | Release date: | 2017-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
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2QN2
 | | Glycogen Phosphorylase b in complex with Maslinic Acid | | Descriptor: | Glycogen phosphorylase, muscle form, maslinic acid | | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | | Deposit date: | 2007-07-17 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
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8Y2F
 | | Cryo-EM structure of human dopamine transporter in complex with GBR12909 | | Descriptor: | 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter | | Authors: | Zhao, Y, Li, Y. | | Deposit date: | 2024-01-25 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
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8Y2D
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8Y2C
 | | Cryo-EM structure of human dopamine transporter in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent dopamine transporter | | Authors: | Zhao, Y, Li, Y. | | Deposit date: | 2024-01-25 | | Release date: | 2024-08-14 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
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8Y2E
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