6IR9
 
 | | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-1) of the nucleosome | | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Ehara, H, Kujirai, T, Fujino, Y, Shirouzu, M, Kurumizaka, H, Sekine, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insight into nucleosome transcription by RNA polymerase II with elongation factors.
Science, 363, 2019
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5DLS
 | | Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design | | Descriptor: | 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M. | | Deposit date: | 2015-09-07 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design.
Oncotarget, 6, 2015
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9DMB
 | | Rhesus RHA10.01 Fab in complex with HIV-1 Env BG505 DS-SOSIP 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, BG505 DS-SOSIP glycoprotein gp41, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2024-09-12 | | Release date: | 2025-06-18 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Transient glycan shield reduction induces CD4-binding site broadly neutralizing antibodies in SHIV-infected macaques.
Cell Rep, 44, 2025
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8R4Y
 | | Homotrimer for the lumenal domain of Vacuolar Sorting Receptor 1 (VSR1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Vacuolar-sorting receptor 1, alpha-D-mannopyranose, ... | | Authors: | Borges, R.J, Eldahshoury, M.K, Nettleship, J, Bird, L, An, J, Levada, A.J.L, Shah, N, Thomson, M, Fontes, M.R.M, Owens, R, Denecke, J, Postis, V, Uson, I, Goldman, A, De Marcos Lousa, C. | | Deposit date: | 2023-11-14 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | The crystal structure of Vacuolar Sorting Receptor 1 (VSR1) lumenal domain reveals a stable domain-swapped trimer and a potential new cargo binding site
To Be Published
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3LL3
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6ECH
 | | Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Padyana, A, Tong, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-12-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
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5TOV
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1QMH
 | | Crystal structure of RNA 3'-terminal phosphate cyclase, an ubiquitous enzyme with unusual topology | | Descriptor: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, CITRIC ACID, RNA 3'-TERMINAL PHOSPHATE CYCLASE | | Authors: | Palm, G.J, Billy, E, Filipowicz, W, Wlodawer, A. | | Deposit date: | 1999-09-28 | | Release date: | 2000-01-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of RNA 3'-Terminal Phosphate Cyclase, a Ubiquitous Enzyme with Unusual Topology
Structure, 8, 2000
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6B5Z
 | | IMPase (AF2372) with 25 mM Asp | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ... | | Authors: | Goldstein, R.I, Roberts, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7XHF
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3IBE
 | | Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma | | Descriptor: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Bard, J, Svenson, K. | | Deposit date: | 2009-07-15 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines.
J.Med.Chem., 52, 2009
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7DXI
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6K5H
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5DUG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6K5Z
 | | Structure of uridylyltransferase | | Descriptor: | FE (III) ION, Galactose-1-phosphate uridylyltransferase, PHOSPHATE ION, ... | | Authors: | Sakuraba, H, Ohshida, T, Yoneda, K, Ohshima, T. | | Deposit date: | 2019-05-31 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Unique active site formation in a novel galactose 1-phosphate uridylyltransferase from the hyperthermophilic archaeon Pyrobaculum aerophilum.
Proteins, 88, 2020
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4FVA
 | | Crystal structure of truncated Caenorhabditis elegans TDP2 | | Descriptor: | 1,2-ETHANEDIOL, 5'-tyrosyl-DNA phosphodiesterase, MAGNESIUM ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2012-06-29 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
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6EQS
 | | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | | Authors: | Pannek, M, Steegborn, C. | | Deposit date: | 2017-10-15 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XU6
 | | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) from Cryptococcus neoformans | | Descriptor: | Inositol-pentakisphosphate 2-kinase, SULFATE ION | | Authors: | Oh, J, Rhee, S. | | Deposit date: | 2017-06-22 | | Release date: | 2017-10-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans.
J. Struct. Biol., 200, 2017
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6QFS
 | | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | | Deposit date: | 2019-01-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
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3A1R
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6QL9
 | | Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom | | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ... | | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | | Deposit date: | 2019-01-31 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
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3QN7
 | | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | | Authors: | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
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7XHW
 | | Crystal structure of metallo-beta-lactamase IMP-1 | | Descriptor: | Beta-lactamase, ZINC ION | | Authors: | Yamamoto, K, Tanaka, H, Kurisu, G, Nakano, R, Yano, H, Sakai, H. | | Deposit date: | 2022-04-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural insights into the substrate specificity of IMP-6 and IMP-1 metallo-beta-lactamases.
J.Biochem., 173, 2022
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3A4M
 | | Crystal structure of archaeal O-phosphoseryl-tRNA(Sec) kinase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | Authors: | Araiso, Y, Ishitani, R, Soll, D, Nureki, O. | | Deposit date: | 2009-07-10 | | Release date: | 2009-10-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Structure of a tRNA-dependent kinase essential for selenocysteine decoding
Proc.Natl.Acad.Sci.USA, 106, 2009
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