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4J5Y
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Crystal structure of Hfq from Pseudomonas aeruginosa in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Protein hfq, ...
著者Murina, V, Lekontseva, N, Nikulin, A.
登録日2013-02-11
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0953 Å)
主引用文献Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
8POB
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BU of 8pob by Molmil
Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3
分子名称: 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ...
著者Alsalman, Z, Girard, E.
登録日2023-07-04
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Chemistry, 30, 2024
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8TXS
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BU of 8txs by Molmil
Solution NMR structure of designed peptide BH26 (RGVTVPHNGESKDYSV)
分子名称: BH26 peptide
著者McShan, A.C, Torres, M.P.
登録日2023-08-24
公開日2023-09-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8TUP
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BU of 8tup by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
8TUL
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BU of 8tul by Molmil
Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition
分子名称: MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial
著者Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D.
登録日2023-08-16
公開日2023-09-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
8QZK
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BU of 8qzk by Molmil
Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form
分子名称: ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE
著者Aghajari, N, Hansen, A.L, Thiesen, F.F, Crehuet, R, Marcos, E, Willemoes, M.
登録日2023-10-27
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination.
Acs Synth Biol, 13, 2024
8TNK
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The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
分子名称: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2023-08-02
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TN3
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Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxamine 5'-phosphate (PMP)
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PLP-dependent aminotransferase MppQ
著者Silvaggi, N.R, Vuksanovic, N.
登録日2023-08-01
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
8TN2
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Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)
分子名称: PLP-dependent aminotransferase MppQ
著者Silvaggi, N.R, Vuksanovic, N.
登録日2023-08-01
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
8UCD
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BU of 8ucd by Molmil
Cryo-EM structure of human STEAP1 in complex with AMG 509 Fab
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, AMG 509 anti-STEAP1 Fab, heavy chain, ...
著者Li, F, Bailis, J.M, Zhang, H.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献AMG 509 (Xaluritamig), an Anti-STEAP1 XmAb 2+1 T-cell Redirecting Immune Therapy with Avidity-Dependent Activity against Prostate Cancer.
Cancer Discov, 14, 2024
4J6Y
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BU of 4j6y by Molmil
Hfq from Pseudomonas aeruginosa crystallized in GTP presence
分子名称: CADMIUM ION, Protein hfq
著者Nikulin, A.D, Murina, V, Lekontseva, N.
登録日2013-02-12
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1405 Å)
主引用文献Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
7SOG
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BU of 7sog by Molmil
Thermostable actophorin
分子名称: Actophorin, NICKEL (II) ION
著者Lieberman, R.L, Quirk, S.
登録日2021-10-30
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure and activity of a thermally stable mutant of Acanthamoeba actophorin.
Acta Crystallogr.,Sect.F, 78, 2022
7TGR
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BU of 7tgr by Molmil
Structure of SARS-CoV-2 main protease in complex with GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 1,2-ETHANEDIOL, ...
著者Esler, M.A, Shi, K, Aihara, H, Harris, R.S.
登録日2022-01-09
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Gain-of-Signal Assays for Probing Inhibition of SARS-CoV-2 M pro /3CL pro in Living Cells.
Mbio, 13, 2022
7SQO
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BU of 7sqo by Molmil
Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者McGrath, A.P, Kang, Y, Flinspach, M.
登録日2021-11-05
公開日2022-05-25
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Hypocretin receptor type 2, ...
著者Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
登録日2021-11-08
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7TGP
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BU of 7tgp by Molmil
E176T/Y188G variant of the internal UBA Domain of HHR23A
分子名称: UV excision repair protein RAD23 homolog A
著者Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R.
登録日2022-01-08
公開日2023-04-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
7SXJ
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BU of 7sxj by Molmil
BIO-2895 (BRD0705) bound GSK3beta-axin complex
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXG
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BIO-8546 bound GSK3alpha-axin complex
分子名称: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXF
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BU of 7sxf by Molmil
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ...
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXH
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BU of 7sxh by Molmil
BIO-8546 bound GSK3beta-axin complex
分子名称: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide
著者Chodaparambil, J.V.
登録日2021-11-23
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7TZO
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BU of 7tzo by Molmil
The apo structure of human mTORC2 complex
分子名称: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
著者Yu, Z, Chen, J, Pearce, D.
登録日2022-02-16
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt.
J.Biol.Chem., 298, 2022
7THS
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BU of 7ths by Molmil
Macrocyclic plasmin inhibitor
分子名称: (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ...
著者Guojie, W.
登録日2022-01-12
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Chemmedchem, 18, 2023
7UAH
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Macrocyclic plasmin inhibitor
分子名称: (2~{R})-butane-1,2-diol, (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, Plasminogen, ...
著者Guojie, W.
登録日2022-03-12
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Chemmedchem, 18, 2023
7UD0
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BU of 7ud0 by Molmil
Room Temperature Drosophila Cryptochrome
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
著者Schneps, C.M, Crane, B.R.
登録日2022-03-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Room-temperature serial synchrotron crystallography of Drosophila cryptochrome.
Acta Crystallogr D Struct Biol, 78, 2022

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件を2024-07-17に公開中

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