8PQI
 
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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6S9U
 | | Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | | Authors: | Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H. | | Deposit date: | 2019-07-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase.
Int J Mol Sci, 20, 2019
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7C6K
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form I) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PYROPHOSPHATE 2-, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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7KBO
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3DWY
 | | Crystal Structure of the Bromodomain of Human CREBBP | | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-07-23 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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7JWR
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5KY2
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4YF2
 | | Crystal structure of mouse sperm C-type lysozyme-like protein 1 | | Descriptor: | Sperm acrosome membrane-associated protein 3 | | Authors: | Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
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6FY5
 | | Crystal structure of the macro domain of human macroh2a2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2 | | Authors: | Hothorn, M. | | Deposit date: | 2018-03-10 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms.
EMBO Rep., 19, 2018
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9F44
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7C6L
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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5L73
 | | MAM domain of human neuropilin-1 | | Descriptor: | BICINE, CALCIUM ION, Neuropilin-1, ... | | Authors: | Yelland, T, Djordjevic, S. | | Deposit date: | 2016-06-01 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of the Neuropilin-1 MAM Domain: Completing the Neuropilin-1 Ectodomain Picture.
Structure, 24, 2016
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6SI9
 | | FtsZ-refold | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cell division protein FtsZ, ... | | Authors: | Fernandez-Tornero, C, Andreu, J.M, Ruiz, F.M. | | Deposit date: | 2019-08-09 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Febs J., 287, 2020
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6FRD
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6SMW
 | | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | | Deposit date: | 2019-08-23 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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6BEV
 | | Human Single Domain Sulfurtranferase TSTD1 | | Descriptor: | Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1 | | Authors: | Motl, N, Akey, D.L, Smith, J.L, Banerjee, R. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.043 Å) | | Cite: | Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
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3EBU
 | | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase | | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H. | | Deposit date: | 2008-08-28 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
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6FSY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
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6FT7
 | | Crystal structure of CLK3 in complex with compound 8a | | Descriptor: | 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... | | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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7UXM
 | | Structure of PPIA in complex with FP29092, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ... | | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | | Deposit date: | 2022-05-05 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Y3V
 | | Crystal structure of CdpNPT in complex with harmane | | Descriptor: | 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | | Authors: | Nakashima, Y, Morita, H. | | Deposit date: | 2022-06-13 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
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6FVG
 | | The Structure of CK2alpha with CCh507 bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate | | Authors: | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
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5KXA
 | | Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2016-07-20 | | Release date: | 2016-11-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
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5Z09
 | | ST0452(Y97N)-UTP binding form | | Descriptor: | Dual sugar-1-phosphate nucleotidylyltransferase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y. | | Deposit date: | 2017-12-19 | | Release date: | 2018-10-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Improvement of ST0452N-Acetylglucosamine-1-Phosphate Uridyltransferase Activity by the Cooperative Effect of Two Single Mutations Identified through Structure-Based Protein Engineering
Appl. Environ. Microbiol., 84, 2018
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3NWP
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