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8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
6GUR
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BU of 6gur by Molmil
Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC
Descriptor: (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide, CARBONATE ION, FE (III) ION, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6MYQ
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BU of 6myq by Molmil
Avian mitochondrial complex II with ferulenol bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
7Z0W
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BU of 7z0w by Molmil
E. coli NfsA bound to NADP+
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
Authors:White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I.
Deposit date:2022-02-23
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
1ELZ
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BU of 1elz by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (S102G)
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R.
Deposit date:1998-02-10
Release date:1998-05-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
1ELX
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BU of 1elx by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (S102A)
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R.
Deposit date:1998-02-10
Release date:1998-05-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
8EIU
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BU of 8eiu by Molmil
E. coli 70S ribosome with A-loop mutations U2554C and U2555C
Descriptor: 16S rRNA, 23S rRNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Nissley, A.J, Penev, P.I, Watson, Z.L, Banfield, J.F, Cate, J.H.D.
Deposit date:2022-09-15
Release date:2023-02-01
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:Rare ribosomal RNA sequences from archaea stabilize the bacterial ribosome.
Nucleic Acids Res., 51, 2023
1ELY
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BU of 1ely by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (S102C)
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R.
Deposit date:1998-02-10
Release date:1998-05-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
7L5H
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BU of 7l5h by Molmil
The external aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase at 1.80 Angstrom resolution with cesium ion at the metal coordination site
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The external aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase at 1.80 Angstrom resolution with cesium ion at the metal coordination site.
To be Published
5KDI
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BU of 5kdi by Molmil
How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold
Descriptor: (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8
Authors:Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L.
Deposit date:2016-06-08
Release date:2017-12-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
5LZJ
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BU of 5lzj by Molmil
Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
Descriptor: (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ...
Authors:Heggelund, J.E, Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
8R10
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BU of 8r10 by Molmil
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (Z)-4-(4-hydroxystyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
7GG3
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BU of 7gg3 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with AAR-RCN-748c104b-1 (Mpro-x12080)
Descriptor: (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
3GQL
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BU of 3gql by Molmil
Crystal Structure of activated receptor tyrosine kinase in complex with substrates
Descriptor: (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol, Basic fibroblast growth factor receptor 1
Authors:Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J.
Deposit date:2009-03-24
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site.
Cell(Cambridge,Mass.), 138, 2009
1QOY
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BU of 1qoy by Molmil
E.coli Hemolysin E (HlyE, ClyA, SheA)
Descriptor: HEMOLYSIN E, SULFATE ION
Authors:Wallace, A.J, Stillman, T.J, Atkins, A, Jamieson, S.J, Bullough, P.A, Green, J, Artymiuk, P.J.
Deposit date:1999-11-25
Release date:2000-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:E. Coli Hemolysin E (Hlye, Clya, Shea): X-Ray Crystal Structure of the Toxin and Observation of Membrane Pores by Electron Microscopy
Cell(Cambridge,Mass.), 100, 2000
6UNN
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BU of 6unn by Molmil
The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
Descriptor: (E)-3-(4-methoxyphenyl)acrylic acid, CHLORIDE ION, CYP199A4, ...
Authors:Doherty, Z.D, Bell, S.G, Bruning, J.
Deposit date:2019-10-13
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:The crystal structure of 4-methoxycinnamic acid-bound CYP199A4
To Be Published
7MXY
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BU of 7mxy by Molmil
Cryo-EM structure of PfFNT-inhibitor complex
Descriptor: (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter
Authors:Yu, E.W, Su, C, Lyu, M.
Deposit date:2021-05-19
Release date:2021-12-08
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structural basis of transport and inhibition of the Plasmodium falciparum transporter PfFNT
EMBO Rep, 22, 2021
5J4D
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BU of 5j4d by Molmil
E. coli release factor 1 bound to the 70S ribosome in response to a pseudouridylated stop codon
Descriptor: 16S ribosomal RNA, 25S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Korostelev, A.A.
Deposit date:2016-03-31
Release date:2016-05-18
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Translation Termination on a Pseudouridylated Stop Codon.
J.Mol.Biol., 428, 2016
2YIQ
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BU of 2yiq by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322
Descriptor: (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
Deposit date:2011-05-16
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
3AAS
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BU of 3aas by Molmil
Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate
Descriptor: (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ...
Authors:Iyaguchi, D, Kawano, S, Toyota, E.
Deposit date:2009-11-26
Release date:2010-04-07
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
7KI7
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BU of 7ki7 by Molmil
The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-10-23
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site.
To be Published
5KNS
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BU of 5kns by Molmil
E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine
Descriptor: (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
Deposit date:2016-06-28
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
5RHC
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BU of 5rhc by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)
Descriptor: (E)-1-(1H-imidazol-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RHB
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BU of 5rhb by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)
Descriptor: (E)-1-(pyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Descriptor: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014

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数据于2025-07-09公开中

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