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8PQI
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BU of 8pqi by Molmil
PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9
分子名称: (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
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
6S9U
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BU of 6s9u by Molmil
Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus
分子名称: 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, ...
著者Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H.
登録日2019-07-15
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase.
Int J Mol Sci, 20, 2019
7C6K
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BU of 7c6k by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form I)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PYROPHOSPHATE 2-, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7KBO
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BU of 7kbo by Molmil
Reverse Transcriptase Diabody with S82bC, R83T Mutations Crystallized in C2
分子名称: 1,2-ETHANEDIOL, Single-chain scFv
著者Chesterman, C, Arnold, E.
登録日2020-10-02
公開日2021-03-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-crystallization with diabodies: A case study for the introduction of synthetic symmetry.
Structure, 29, 2021
3DWY
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BU of 3dwy by Molmil
Crystal Structure of the Bromodomain of Human CREBBP
分子名称: 1,2-ETHANEDIOL, CREB-binding protein
著者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)
登録日2008-07-23
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7JWR
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BU of 7jwr by Molmil
Cellular retinol-binding protein 2 (CRBP2) in complex with 2-oleoylglycerol
分子名称: 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate, Retinol-binding protein 2
著者Silvaroli, J.A, Banarjee, S, Golczak, M.
登録日2020-08-26
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.30000067 Å)
主引用文献Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
5KY2
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BU of 5ky2 by Molmil
mouse POFUT1 in complex with O-glucosylated mouse Factor VII EGF1 and GDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ...
著者Li, Z, Rini, J.M.
登録日2016-07-20
公開日2017-05-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
4YF2
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BU of 4yf2 by Molmil
Crystal structure of mouse sperm C-type lysozyme-like protein 1
分子名称: Sperm acrosome membrane-associated protein 3
著者Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W.
登録日2015-02-24
公開日2015-03-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
9F44
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BU of 9f44 by Molmil
cryo-EM structure of LST2 TOS peptide bound to human mTOR complex 1
分子名称: INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ...
著者Craigie, L.M, Maier, T.
登録日2024-04-26
公開日2024-08-14
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
6FY5
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BU of 6fy5 by Molmil
Crystal structure of the macro domain of human macroh2a2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2
著者Hothorn, M.
登録日2018-03-10
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms.
EMBO Rep., 19, 2018
7C6L
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BU of 7c6l by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II)
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
5L73
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BU of 5l73 by Molmil
MAM domain of human neuropilin-1
分子名称: BICINE, CALCIUM ION, Neuropilin-1, ...
著者Yelland, T, Djordjevic, S.
登録日2016-06-01
公開日2016-10-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of the Neuropilin-1 MAM Domain: Completing the Neuropilin-1 Ectodomain Picture.
Structure, 24, 2016
6SI9
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BU of 6si9 by Molmil
FtsZ-refold
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cell division protein FtsZ, ...
著者Fernandez-Tornero, C, Andreu, J.M, Ruiz, F.M.
登録日2019-08-09
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleotide-induced folding of cell division protein FtsZ from Staphylococcus aureus.
Febs J., 287, 2020
6FRD
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BU of 6frd by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
分子名称: 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, FORMIC ACID, GUANIDINE, ...
著者Singh, A.K, Brown, D.G.
登録日2018-02-15
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
To be published
6SMW
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BU of 6smw by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed
分子名称: 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, ...
著者Ruszkowski, M, Sekula, B, Dauter, Z.
登録日2019-08-23
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
分子名称: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
著者Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
登録日2017-10-25
公開日2018-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.043 Å)
主引用文献Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
3EBU
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BU of 3ebu by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-08-28
公開日2010-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
6FSY
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BU of 6fsy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4
著者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)
登録日2018-02-20
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FT7
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BU of 6ft7 by Molmil
Crystal structure of CLK3 in complex with compound 8a
分子名称: 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-02-20
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
7UXM
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BU of 7uxm by Molmil
Structure of PPIA in complex with FP29092, a Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
分子名称: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-06-13
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献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
6FVG
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BU of 6fvg by Molmil
The Structure of CK2alpha with CCh507 bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
著者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.
登録日2018-03-02
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019
5KXA
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BU of 5kxa by Molmil
Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis
分子名称: 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, ...
著者Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
登録日2016-07-20
公開日2016-11-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
5Z09
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BU of 5z09 by Molmil
ST0452(Y97N)-UTP binding form
分子名称: Dual sugar-1-phosphate nucleotidylyltransferase, URIDINE 5'-TRIPHOSPHATE
著者Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y.
登録日2017-12-19
公開日2018-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献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
3NWP
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BU of 3nwp by Molmil
Crystal structure of a 6-phosphogluconolactonase (Sbal_2240) from Shewanella baltica OS155 at 1.40 A resolution
分子名称: 6-phosphogluconolactonase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-09
公開日2010-07-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a 6-phosphogluconolactonase (Sbal_2240) from Shewanella baltica OS155 at 1.40 A resolution
To be published

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