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7DD0
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Crystal structure of the N-terminal domain of TagH from Bacillus subtilis
分子名称: Teichoic acids export ATP-binding protein TagH
著者Ko, T.P, Yang, C.S, Wang, Y.C, Chen, Y.
登録日2020-10-27
公開日2020-12-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the N-terminal domain of TagH reveals a potential drug targeting site.
Biochem.Biophys.Res.Commun., 536, 2020
4L9S
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BU of 4l9s by Molmil
Crystal Structure of H-Ras G12C, GDP-bound
分子名称: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-18
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
7MBJ
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BU of 7mbj by Molmil
Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation
分子名称: cGMP-dependent protein kinase 1
著者Kim, J.J, Casteel, D.E, Kim, C.
登録日2021-03-31
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
6F1O
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BU of 6f1o by Molmil
Orthorhombic Lysozyme crystallized at 298 K and pH 4.5
分子名称: CHLORIDE ION, Lysozyme C, PHOSPHATE ION
著者Camara-Artigas, A.
登録日2017-11-22
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
7MRI
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BU of 7mri by Molmil
Crystal structure of N63T yeast iso-1-cytochrome c
分子名称: Cytochrome c isoform 1, HEME C
著者Lei, H, Bowler, B.E, Evenson, G.E.
登録日2021-05-07
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c.
J.Inorg.Biochem., 232, 2022
7MRP
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BU of 7mrp by Molmil
MicroED structure of lysozyme from milled crystals at 1.75A
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Martynowycz, M.W, Gonen, T.
登録日2021-05-07
公開日2022-05-11
実験手法ELECTRON CRYSTALLOGRAPHY (1.75 Å)
主引用文献Preparing crystalline lamellae by focused ion-beam milling for microcrystal electron diffraction (MicroED) experiments
To be Published
4LE0
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BU of 4le0 by Molmil
Crystal structure of the receiver domain of DesR in complex with beryllofluoride and magnesium
分子名称: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
著者Trajtenberg, F, Larrieux, N, Buschiazzo, A.
登録日2013-06-25
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014
6F5E
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BU of 6f5e by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, DD_D12_10_47, Mitogen-activated protein kinase 8
著者Wu, Y, Mittl, P.R, Honegger, A, Batyuk, A, Plueckthun, A.
登録日2017-12-01
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_10_47 in complex JNK1a1 and JIP1 peptide
To be published
6FD8
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BU of 6fd8 by Molmil
Gamma-s crystallin dimer
分子名称: Beta-crystallin S
著者Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A.
登録日2017-12-22
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
6F60
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BU of 6f60 by Molmil
The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand
分子名称: Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound
著者Merlino, A, Ferraro, G.
登録日2017-12-04
公開日2018-04-25
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules.
Inorg Chem, 57, 2018
4LDJ
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BU of 4ldj by Molmil
Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
登録日2013-06-24
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LDS
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BU of 4lds by Molmil
The inward-facing structure of the glucose transporter from Staphylococcus epidermidis
分子名称: Glucose transporter GlcP
著者Choe, J, Aleshin, A, Iancu, C.V.
登録日2013-06-25
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a glucose/H+ symporter and its mechanism of action.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LE9
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BU of 4le9 by Molmil
Crystal structure of a chimeric c-Src-SH3 domain
分子名称: Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
著者Camara-Artigas, A, Martinez-Rodriguez, S, Ortiz-Salmeron, E, Martin-Garcia, J.M.
登録日2013-06-25
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.344 Å)
主引用文献3D domain swapping in a chimeric c-Src SH3 domain takes place through two hinge loops.
J.Struct.Biol., 186, 2014
4LL9
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BU of 4ll9 by Molmil
Crystal structure of D3D4 domain of the LILRB1 molecule
分子名称: IODIDE ION, Leukocyte immunoglobulin-like receptor subfamily B member 1
著者Nam, G, Shi, Y, Ryu, M, Wang, Q, Song, H, Liu, J, Yan, J, Qi, J, Gao, G.F.
登録日2013-07-09
公開日2013-09-11
最終更新日2013-11-06
実験手法X-RAY DIFFRACTION (2.686 Å)
主引用文献Crystal structures of the two membrane-proximal Ig-like domains (D3D4) of LILRB1/B2: alternative models for their involvement in peptide-HLA binding
Protein Cell, 4, 2013
6F76
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BU of 6f76 by Molmil
Antibody derived (Abd-8) small molecule binding to KRAS.
分子名称: 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ...
著者Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H.
登録日2017-12-07
公開日2018-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018
7D7V
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BU of 7d7v by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+) and U1A protein
分子名称: 17delU1A (58-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, H, Ren, A.M.
登録日2020-10-06
公開日2020-11-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
4LX8
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Crystal structure (2.2A) of Mg2+ bound CheY3 of Vibrio cholerae
分子名称: Chemotaxis protein CheY, MAGNESIUM ION
著者Dasgupta, J, Biswas, M.
登録日2013-07-29
公開日2013-10-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae
Plos One, 8, 2013
7D0W
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BU of 7d0w by Molmil
Crystal structure of Hen Egg White Lysozyme
分子名称: CHLORIDE ION, Lysozyme C
著者Iqbal, S, Krishnasamy, G.
登録日2020-09-12
公開日2020-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Hen Egg White Lysozyme
To Be Published
7M1K
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BU of 7m1k by Molmil
Crystal structure of dehaloperoxidase B in complex with 2,6-difluorophenol
分子名称: 2,6-DIFLUOROPHENOL, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2021-03-13
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
J.Inorg.Biochem., 236, 2022
7M9W
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BU of 7m9w by Molmil
HIV-1 Protease (I84V) in Complex with NR02-73
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献HIV-1 Protease (I84V) in Complex with NR02-73
To Be Published
7M9S
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HIV-1 Protease WT (NL4-3) in Complex with NR01-141
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
7LXL
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BU of 7lxl by Molmil
Crystal structure of human CYP3A4 bound to the testosterone dimer
分子名称: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2021-03-04
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
6FJB
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BU of 6fjb by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-O-prop-2-yn-1-yladenosine, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Labesse, G.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
4M1Y
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BU of 4m1y by Molmil
Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
6ETO
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BU of 6eto by Molmil
Atomic resolution structure of RNase A (data collection 5)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018

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