8VLX
| HTT in complex with HAP40 and a small molecule. | Descriptor: | 40-kDa huntingtin-associated protein, Huntingtin, N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea | Authors: | Poweleit, N, Boudet, J, Doherty, E. | Deposit date: | 2024-01-12 | Release date: | 2024-03-06 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex To Be Published
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1TQQ
| Structure of TolC in complex with hexamminecobalt | Descriptor: | COBALT HEXAMMINE(III), Outer membrane protein tolC | Authors: | Higgins, M.K, Eswaran, J, Edwards, P.C, Schertler, G.F, Hughes, C, Koronakis, V. | Deposit date: | 2004-06-18 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the ligand-blocked periplasmic entrance of the bacterial multidrug effllux protein TolC J.Mol.Biol., 342, 2004
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8VLB
| Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | Deposit date: | 2024-01-11 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1 To Be Published
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8VHM
| Structure of DHODH in Complex with Fragment 2 | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-01-02 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors. Acs Med.Chem.Lett., 15, 2024
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4R8H
| The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, GLYCEROL, cAMP-activated global transcriptional regulator CRP | Authors: | Townsend, P.D, Pohl, E, McLeish, T.C.B, Rodgers, T.L, Glover, L.C, Korhonen, H.J, Wilson, M.R, Hodgson, D.R.W, Cann, M.J. | Deposit date: | 2014-09-02 | Release date: | 2015-07-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein. J.Biol.Chem., 290, 2015
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1OY6
| Structural Basis of the Multiple Binding Capacity of the AcrB Multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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7E1T
| Crystal structure of Rab9A-GTP-Nde1 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ... | Authors: | Zhang, Y, Zhang, T, Ding, J. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex. Structure, 30, 2022
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1YK3
| Crystal structure of Rv1347c from Mycobacterium tuberculosis | Descriptor: | Hypothetical protein Rv1347c/MT1389, octyl beta-D-glucopyranoside | Authors: | Card, G.L, Peterson, N.A, Smith, C.A, Rupp, B, Schick, B.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-01-16 | Release date: | 2005-02-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis J.Biol.Chem., 280, 2005
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1T9T
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7EN2
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1B49
| DCMP HYDROXYMETHYLASE FROM T4 (PHOSPHATE-BOUND) | Descriptor: | PHOSPHATE ION, PROTEIN (DEOXYCYTIDYLATE HYDROXYMETHYLASE) | Authors: | Song, H.K, Sohn, S.H, Suh, S.W. | Deposit date: | 1999-01-06 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex. EMBO J., 18, 1999
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5VI8
| Structure of a mycobacterium smegmatis transcription initiation complex with an upstream-fork promoter fragment | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Hubin, E.A, Campbell, E.A, Darst, S.A. | Deposit date: | 2017-04-14 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures. Nat Commun, 8, 2017
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2OHX
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3HZU
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7JOZ
| Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist | Descriptor: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, Endolysin,D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Sun, B, Feng, D, Chu, M.L, Fish, I, Kelm, S, Lebon, F, Lovera, S, Valade, A, Wood, M, Ceska, T, Kobilka, T.S, Sands, Z, Kobilka, B.K. | Deposit date: | 2020-08-07 | Release date: | 2021-04-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist. Nat Commun, 12, 2021
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1T9U
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7JY2
| Z-DNA joint X-ray/Neutron | Descriptor: | Chains: A,B | Authors: | Harp, J.M, Coates, L, Egli, M. | Deposit date: | 2020-08-28 | Release date: | 2021-04-28 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | Cite: | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021
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7KCS
| The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 | Descriptor: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Coleman, T, Bruning, J.B, Bell, S.G. | Deposit date: | 2020-10-07 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme Acs Catalysis, 11, 2021
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7K14
| Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | Deposit date: | 2020-09-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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7JW9
| Ternary cocrystal structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, SODIUM ION, ... | Authors: | Liew, J.J.M, Dowling, D.P. | Deposit date: | 2020-08-25 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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7K64
| Binary titrated soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liew, J.J.M, Dowling, D.P. | Deposit date: | 2020-09-18 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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7JYB
| Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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7BDW
| Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918 | Descriptor: | COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ... | Authors: | Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2020-12-22 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep, 11, 2021
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7JV3
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7K88
| Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | Authors: | Kiser, P.D. | Deposit date: | 2020-09-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
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