6NRO
 
 | | Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VIQKI | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Human parainfluenza virus type 3 fusion glycoprotein C-terminal heptad repeat domain, ... | | Authors: | Outlaw, V.K, Kreitler, D.F, Gellman, S.H. | | Deposit date: | 2019-01-23 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
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6H16
 | | Structure of LRP6 P3E3P4E4 in complex with VHH L-P2-D07 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor-related protein 6, ... | | Authors: | Gros, P, van Scherpenzeel, R.C. | | Deposit date: | 2018-07-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anti-LRP5/6 VHHs promote differentiation of Wnt-hypersensitive intestinal stem cells.
Nat Commun, 10, 2019
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6NLL
 | | 1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) | | Descriptor: | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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1XOQ
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast | | Descriptor: | 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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3AUA
 | | Crystal structure of the quaternary complex-2 of an isomerase | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ... | | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | | Deposit date: | 2011-02-01 | | Release date: | 2011-08-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
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4RVK
 | | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | | Descriptor: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-11-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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6NUJ
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3KVC
 | | Crystal structure of bovine RPE65 at 1.9 angstrom resolution | | Descriptor: | FE (II) ION, Retinoid isomerohydrolase | | Authors: | Kiser, P.D, Lodowski, D.T, Golczak, M, Palczewski, K. | | Deposit date: | 2009-11-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Importance of membrane structural integrity for RPE65 retinoid isomerization activity.
J.Biol.Chem., 285, 2010
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4RW4
 | | Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | | Descriptor: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2014-12-01 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.674 Å) | | Cite: | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
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6NEA
 | | Human Acetylcholinesterase in complex with reactivator, HLo7 | | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 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: | Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D. | | Deposit date: | 2018-12-17 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.419 Å) | | Cite: | Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate.
Acs Med.Chem.Lett., 10, 2019
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2IL2
 | | Crystal Structure of Human Renin Complexed with Inhibitor | | Descriptor: | CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin | | Authors: | Mochalkin, I. | | Deposit date: | 2006-10-02 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
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4RYD
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4S11
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3IQV
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4TL5
 | | Crystal Structure of Human Transthyretin Ser85Pro Mutant | | Descriptor: | CHLORIDE ION, SODIUM ION, Transthyretin | | Authors: | Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S. | | Deposit date: | 2014-05-28 | | Release date: | 2015-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
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3AU8
 | | Crystal structure of the ternary complex of an isomerase | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T. | | Deposit date: | 2011-02-01 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
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6NP0
 | | Cryo-EM structure of 5HT3A receptor in presence of granisetron | | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Basak, S, Chakrapani, S. | | Deposit date: | 2019-01-17 | | Release date: | 2019-07-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor.
Nat Commun, 10, 2019
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8PFD
 | | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | | Deposit date: | 2023-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8F5W
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
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4TOT
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4RLL
 | | Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, Casein kinase II subunit alpha, GLYCEROL | | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | | Deposit date: | 2014-10-17 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells.
Cancer Lett, 356, 2015
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8F6N
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically | | Descriptor: | Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | Deposit date: | 2022-11-16 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
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3B9N
 | | Crystal structure of long-chain alkane monooxygenase (LadA) | | Descriptor: | Alkane monooxygenase | | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | | Deposit date: | 2007-11-06 | | Release date: | 2008-01-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
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1XN0
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R,S)-Rolipram | | Descriptor: | MAGNESIUM ION, ROLIPRAM, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-04 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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4RMF
 | | Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target | | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID | | Authors: | Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K. | | Deposit date: | 2014-10-21 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
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