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6YI1
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Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kupski, O, Sautner, V, Tittmann, K.
登録日2020-03-31
公開日2020-07-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease.
Biochemistry, 59, 2020
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
6AM3
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BU of 6am3 by Molmil
Regulator of G protein signaling (RGS) 17 in complex with Ca2+
分子名称: CALCIUM ION, Regulator of G-protein signaling 17, TETRAETHYLENE GLYCOL, ...
著者Sieng, M, Lyon, A.M.
登録日2017-08-09
公開日2019-02-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献High-resolution structure of RGS17 suggests a role for Ca2+in promoting the GTPase-activating protein activity by RZ subfamily members.
J.Biol.Chem., 294, 2019
6H0H
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BU of 6h0h by Molmil
The ABC transporter associated binding protein from B. animalis subsp. lactis Bl-04 in complex with beta-1,6-galactobiose
分子名称: DI(HYDROXYETHYL)ETHER, Probable solute binding protein of ABC transporter system for sugars, TETRAETHYLENE GLYCOL, ...
著者Fredslund, F, Lo Leggio, L.
登録日2018-07-09
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate preference of an ABC importer corresponds to selective growth on beta-(1,6)-galactosides inBifidobacterium animalissubsp.lactis.
J.Biol.Chem., 294, 2019
5L8I
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BU of 5l8i by Molmil
crystal structure of human FABP6 apo-protein
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ...
著者Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P.
登録日2016-06-08
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
7SNO
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BU of 7sno by Molmil
Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase
分子名称: 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ...
著者Ulaganathan, T, Cygler, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
5IEE
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BU of 5iee by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with 1-deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-02-25
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
7SNJ
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BU of 7snj by Molmil
Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ...
著者Ulaganathan, T, Cygler, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
6YD7
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BU of 6yd7 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba
分子名称: 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O.
登録日2020-03-20
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
8IJL
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BU of 8ijl by Molmil
Cyo-EM structure of wildtype non-gastric proton pump in the presence of Na+, AlF and ADP
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
著者Abe, K.
登録日2023-02-27
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献An unusual conformation from Na + -sensitive non-gastric proton pump mutants reveals molecular mechanisms of cooperative Na + -binding.
Biochim Biophys Acta Mol Cell Res, 1870, 2023
6YD4
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BU of 6yd4 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba
分子名称: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O.
登録日2020-03-20
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
6ARZ
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BU of 6arz by Molmil
Structure of a phage anti-CRISPR protein
分子名称: BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
登録日2017-08-23
公開日2018-08-29
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
5I4D
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BU of 5i4d by Molmil
1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Superantigen-like protein, ...
著者Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-11
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.
To Be Published
6YJI
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BU of 6yji by Molmil
Structure of FgCelDH7C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H.
登録日2020-04-03
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs.
Nat Commun, 12, 2021
6H3D
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BU of 6h3d by Molmil
Staphylopine dehydrogenase in complex with xNA
分子名称: D-HISTIDINE, DUF2338 domain-containing protein, GLYCEROL, ...
著者Hajjar, C, Arnoux, P.
登録日2018-07-18
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
5I75
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BU of 5i75 by Molmil
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site
分子名称: (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coleman, J.A, Green, E.M, Gouaux, E.
登録日2016-02-16
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
6KTV
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BU of 6ktv by Molmil
The structure of EanB complex with hercynine and persulfided Cys412
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
5LBR
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BU of 5lbr by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
著者Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
登録日2016-06-17
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
7ZXA
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BU of 7zxa by Molmil
Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D)
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-05-20
公開日2023-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
8Q3O
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BU of 8q3o by Molmil
Bacterial transcription termination factor Rho + pppGpp
分子名称: MAGNESIUM ION, Transcription termination factor Rho, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
著者Said, N, Hilal, T, Wahl, M.C.
登録日2023-08-04
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Transcription termination factor rho polymerizes under stress.
Biorxiv, 2023
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.368 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
分子名称: 20-mer DNA, GLYCEROL, Gcf1p
著者Tarres-Sole, A, Sola, M.
登録日2022-04-07
公開日2023-06-14
最終更新日2024-06-19
実験手法SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
主引用文献Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
8IEN
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BU of 8ien by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
分子名称: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IES
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BU of 8ies by Molmil
Cryo-EM structure of ATP13A2 in the E1P-ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8A2G
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BU of 8a2g by Molmil
Crystal structure of Sebokelevirus 2A2 protein
分子名称: 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL
著者Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural plasticity of 2A proteins in the Parechovirus family
to be published

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