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6PS2
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BU of 6ps2 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
8EKB
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BU of 8ekb by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, deacylated P-site tRNAmet, and thermorubin at 2.70A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Paranjpe, M.N, Polikanov, Y.S.
登録日2022-09-20
公開日2022-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the molecular mechanism of translation inhibition by the ribosome-targeting antibiotic thermorubin.
Nucleic Acids Res., 51, 2023
4ALE
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BU of 4ale by Molmil
Structure changes of Polysaccharide monooxygenase CBM33A from Enterococcus faecalis by X-ray induced photoreduction.
分子名称: CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER
著者Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M.
登録日2012-03-02
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
3PBG
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BU of 3pbg by Molmil
6-PHOSPHO-BETA-GALACTOSIDASE FORM-C
分子名称: 6-PHOSPHO-BETA-D-GALACTOSIDASE, SULFATE ION
著者Wiesmann, C, Schulz, G.E.
登録日1997-02-21
公開日1997-07-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures and mechanism of 6-phospho-beta-galactosidase from Lactococcus lactis.
J.Mol.Biol., 269, 1997
4ALQ
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BU of 4alq by Molmil
X-Ray photoreduction of Polysaccharide monooxygenase CBM33
分子名称: CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER
著者Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M.
登録日2012-03-05
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
6X19
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BU of 6x19 by Molmil
Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
分子名称: 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Zhang, X, Danev, R.
登録日2020-05-18
公開日2020-09-09
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
7JU0
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BU of 7ju0 by Molmil
RebH Variant 0S, Tryptamine 7-halogenase with bound tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
著者Andorfer, M.C, Sukumar, N, Lewis, J.C.
登録日2020-08-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
6G5J
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BU of 6g5j by Molmil
Secreted phospholipase A2 type X in complex with ligand
分子名称: (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Sandmark, J, Oster, L.
登録日2018-03-29
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
4ADF
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BU of 4adf by Molmil
CRYSTAL STRUCTURE OF THE HUMAN COLONY-STIMULATING FACTOR 1 (hCSF-1) CYTOKINE IN COMPLEX WITH THE VIRAL RECEPTOR BARF1
分子名称: MACROPHAGE COLONY-STIMULATING FACTOR 1, SECRETED PROTEIN BARF1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Elegheert, J, Bracke, N, Savvides, S.N.
登録日2011-12-23
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Allosteric Competitive Inactivation of Hematopoietic Csf-1 Signaling by the Viral Decoy Receptor Barf1.
Nat.Struct.Mol.Biol., 19, 2012
6X18
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BU of 6x18 by Molmil
GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor
分子名称: Glucagon, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Zhang, X, Danev, R.
登録日2020-05-18
公開日2020-09-09
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
4ALR
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BU of 4alr by Molmil
X-Ray photoreduction of Polysaccharide monooxygenase CBM33
分子名称: CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER
著者Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M.
登録日2012-03-05
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
7LT6
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BU of 7lt6 by Molmil
Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP
分子名称: Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein
著者Appleton, B.A.
登録日2021-02-18
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6G84
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BU of 6g84 by Molmil
Structure of Cdc14 bound to CBK1 PxL motif
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CBK1, ...
著者Mouilleron, S, Kataria, M, Uhlmann, F.
登録日2018-04-07
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase.
Nat. Struct. Mol. Biol., 25, 2018
6G85
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BU of 6g85 by Molmil
Structure of Cdc14 bound to CBK1 PxL motif
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CBK1, ...
著者Mouilleron, S, Kataria, M, Uhlmann, F.
登録日2018-04-07
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase.
Nat. Struct. Mol. Biol., 25, 2018
6GMO
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BU of 6gmo by Molmil
Plant glutamate cysteine ligase (GCL) in complex with non-reducing GSH (GSM)
分子名称: ACETATE ION, GLYCEROL, Glutamate--cysteine ligase, ...
著者Lenherr, E.D.
登録日2018-05-27
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Plant glutathione biosynthesis revisited: redox-mediated activation of glutamylcysteine ligase does not require homo-dimerization.
Biochem.J., 476, 2019
6GG4
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BU of 6gg4 by Molmil
Crystal structure of M2 PYK in complex with Phenyalanine.
分子名称: PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ...
著者McNae, I.W, Yuan, M, Walkinshaw, M.D.
登録日2018-05-02
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
6QWQ
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BU of 6qwq by Molmil
Structure of gtPebB
分子名称: Ferredoxin bilin reductase plastid, SULFATE ION
著者Sommerkamp, J.A, Hofmann, E.
登録日2019-03-06
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
6R1R
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BU of 6r1r by Molmil
RIBONUCLEOTIDE REDUCTASE E441D MUTANT R1 PROTEIN FROM ESCHERICHIA COLI
分子名称: RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
著者Eriksson, M, Eklund, H.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A new mechanism-based radical intermediate in a mutant R1 protein affecting the catalytically essential Glu441 in Escherichia coli ribonucleotide reductase.
J.Biol.Chem., 272, 1997
6QX6
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BU of 6qx6 by Molmil
Structure of gtPebB-dihydrobiliverdin complex
分子名称: 15,16-DIHYDROBILIVERDIN, Ferredoxin bilin reductase plastid, PENTAETHYLENE GLYCOL, ...
著者Sommerkamp, J.A, Hofmann, E.
登録日2019-03-07
公開日2019-08-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
8FMA
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BU of 8fma by Molmil
Nodavirus RNA replication proto-crown, detergent-solubliized C11 multimer
分子名称: RNA-directed RNA polymerase
著者Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
登録日2022-12-22
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
分子名称: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
著者Jakob, C.G.
登録日2021-01-29
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
8FM9
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BU of 8fm9 by Molmil
Nodavirus RNA replication proto-crown, detergent-solubliized C12 multimer
分子名称: RNA-directed RNA polymerase
著者Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P.
登録日2022-12-22
公開日2023-02-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ENC
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BU of 6enc by Molmil
LTA4 hydrolase in complex with Compound11
分子名称: 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2017-10-04
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
4ALC
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BU of 4alc by Molmil
X-Ray photoreduction of Polysaccharide monooxigenase CBM33
分子名称: CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER
著者Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M.
登録日2012-03-02
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014

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