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1MQJ
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BU of 1mqj by Molmil
Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with willardiine at 1.65 angstroms resolution
Descriptor: 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ZINC ION, glutamate receptor 2
Authors:Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E.
Deposit date:2002-09-16
Release date:2003-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for partial agonist action at ionotropic glutamate receptors
Nat.Neurosci., 6, 2003
1MQP
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BU of 1mqp by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-6
Descriptor: GLYCEROL, alpha-D-glucuronidase
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-09-17
Release date:2003-09-23
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
9GCB
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BU of 9gcb by Molmil
DUF4198 protein from Ideonella sakaiensis with Ni bound
Descriptor: MALONATE ION, NICKEL (II) ION, Nickel ECF transporter, ...
Authors:Franco Cairo, J.P.L, Correa, T.L.R, Offen, W.A, Nairn, A, Walton, J, Davies, G.J, Walton, P.H, Sweeney, S.T.
Deposit date:2024-08-01
Release date:2025-09-10
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Signal-strapping as a protein-sequence search method for the discovery of metalloproteins.
Nat Commun, 16, 2025
9GMU
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BU of 9gmu by Molmil
Structure ofhuman aM ligand binding domain in complex with the aCR3 nanobody
Descriptor: Integrin alpha-M, MAGNESIUM ION, SULFATE ION, ...
Authors:Lorentzen, J, Andersen, G.R.
Deposit date:2024-08-29
Release date:2025-09-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of ligand bound aMb2
To be published
1LZQ
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BU of 1lzq by Molmil
Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2
Descriptor: BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J.
Deposit date:2002-06-11
Release date:2003-04-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study
J.Med.Chem., 46, 2003
9GIA
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BU of 9gia by Molmil
Crystal Structure of Polyphosphate kinase 2-II (PPK2-II) from Bacillus cereus Apo-form
Descriptor: PHOSPHATE ION, PYROPHOSPHATE 2-, Polyphosphate-AMP phosphotransferase
Authors:Saleem-Batcha, R, Keppler, M, Kuge, M, Andexer, J.N.
Deposit date:2024-08-19
Release date:2025-09-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Polyphosphate kinase 2-II (PPK2-II) from Bacillus cereus Apo-form
To Be Published
9GN5
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BU of 9gn5 by Molmil
EpxF in complex with FAD from Goodfellowiella coeruleoviolacea
Descriptor: EpxF, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Walter, A, Kuttenlochner, W, Eisenreich, W, Groll, M, Storch, G.
Deposit date:2024-08-30
Release date:2025-09-10
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Studies of alpha ', beta '-Epoxyketone Synthesis by Small-Molecule Flavins and Flavoenzymes.
Angew.Chem.Int.Ed.Engl., 2025
1M51
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BU of 1m51 by Molmil
PEPCK complex with a GTP-competitive inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Foley, L.H, Wang, P, Dunten, P, Wertheimer, S.J.
Deposit date:2002-07-06
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13, 2003
9GHO
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BU of 9gho by Molmil
Structure of SARS-CoV-2 Main Protease (Mpro) with mutation of S284A
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE
Authors:Creon, A, Scheer, T.E.S, Lane, T.J, Rahmani Mashhour, A, Guenther, S, Reinke, P.Y.A, Meents, A, Chapman, H.N.
Deposit date:2024-08-15
Release date:2025-09-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of SARS-CoV-2 Main Protease (Mpro) with mutation of S284A
To Be Published
9GHN
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BU of 9ghn by Molmil
Structure of SARS-CoV-2 Main Protease (Mpro) with mutation of Q256A
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Creon, A, Scheer, T.E.S, Lane, T.J, Rahmani Mashhour, A, Guenther, S, Reinke, P.Y.A, Meents, A, Chapman, H.N.
Deposit date:2024-08-15
Release date:2025-09-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of SARS-CoV-2 Main Protease (Mpro) with mutation of Q256A
To Be Published
1M5D
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BU of 1m5d by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
9GJV
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BU of 9gjv by Molmil
Fab fragment of an antibody that recognises alpha-1 antitrypsin
Descriptor: FAB 9C5 heavy chain, FAB 9C5 light chain
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2024-08-22
Release date:2025-09-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of pathogenic alpha-1 antitrypsin aggregates in human liver
To Be Published
1M5N
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BU of 1m5n by Molmil
Crystal structure of HEAT repeats (1-11) of importin b bound to the non-classical NLS(67-94) of PTHrP
Descriptor: Importin beta-1 subunit, Parathyroid hormone-related protein
Authors:Cingolani, G, Bednenko, J, Gillespie, M.T, Gerace, L.
Deposit date:2002-07-09
Release date:2003-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the recognition of a nonclassical nuclear localization signal by importin beta
Mol.Cell, 10, 2002
7S0R
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BU of 7s0r by Molmil
Crystal Structure of a Complement Factor H-binding Fragment within the B75KN Region of the Group B Streptococcus Beta Antigen C Protein
Descriptor: C protein beta antigen
Authors:Xu, X, Geisbrecht, B.V.
Deposit date:2021-08-31
Release date:2021-12-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Group B Streptococcus Surface Protein beta : Structural Characterization of a Complement Factor H-Binding Motif and Its Contribution to Immune Evasion.
J Immunol., 208, 2022
9GLC
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BU of 9glc by Molmil
NONO/SFPQ filament: local refinement central units (strand 1)
Descriptor: Non-POU domain containing octamer binding, Splicing factor proline/glutamine rich (polypyrimidine tract binding protein associated)
Authors:Rasmussen, T, Bottcher, B.
Deposit date:2024-08-27
Release date:2025-09-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A filamentous scaffold for gene regulation
to be published
1M5R
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BU of 1m5r by Molmil
Ternary complex of T4 phage BGT with UDP and a 13 mer DNA duplex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*TP*AP*TP*CP*TP*GP*AP*GP*TP*AP*TP*C)-3', ...
Authors:Lariviere, L, Morera, S.
Deposit date:2002-07-10
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Base-flipping mechanism for the T4 phage beta-glucosyltransferase and identification of a transition state analog
J.Mol.Biol., 324, 2002
9GJX
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BU of 9gjx by Molmil
Bacillus licheniformis nitroreductase
Descriptor: 1,2-ETHANEDIOL, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Crennell, S.J, Danson, M.J, Emptage, C.
Deposit date:2024-08-23
Release date:2025-09-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Bacillus licheniformis nitroreductase and analysis of prodrug specificity
To Be Published
5FMB
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BU of 5fmb by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and HEPES buffer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2015-11-02
Release date:2016-02-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
1M6A
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BU of 1m6a by Molmil
NMR structure of the i-Motif Tetramer Formed by XC2
Descriptor: 5'-D(*CP*C)-3'
Authors:Malliavin, T.E, Snoussi, K, Leroy, J.-L.
Deposit date:2002-07-15
Release date:2002-08-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of [Xd(C2)]4 investigated by molecular dynamics simulations
MAGN.RESON.CHEM., 41, 2003
9GN0
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BU of 9gn0 by Molmil
CryoEM structure of essential Mycoplasma pneumoniae lipoprotein Mpn444
Descriptor: Uncharacterized lipoprotein MG309 homolog
Authors:Manger, S, Keles, I.
Deposit date:2024-08-30
Release date:2025-09-10
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural characterization of an essential lipoprotein of Mycoplasma pneumoniae
To Be Published
1M00
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BU of 1m00 by Molmil
Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-BUTYL-N'-HYDROXYGUANIDINE, ...
Authors:Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L.
Deposit date:2002-06-11
Release date:2002-11-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis
Biochemistry, 41, 2002
9GMJ
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BU of 9gmj by Molmil
The crystal structure of ManDH5 Selenomethionine derivative at 1.6 Angstroms resolution - a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DUF5060 domain-containing protein, GLYCEROL
Authors:Sivron, Y, Romano, A, Shoham, Y, Shoham, G.
Deposit date:2024-08-28
Release date:2025-09-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of ManDH5 Selenomethionine derivative at 1.6 Angstroms Resolution - a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
To Be Published
1M0S
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BU of 1m0s by Molmil
NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID IR21)
Descriptor: CITRIC ACID, Ribose-5-Phosphate Isomerase A
Authors:Das, K, Xiao, R, Acton, T, Montelione, G, Arnold, E, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-06-14
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D-RIBOSE-5-PHOSPHATE ISOMERASE, IR21
TO BE PUBLISHED
9GIH
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BU of 9gih by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH14047
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, SULFATE ION, ...
Authors:Scaletti Hutchinson, E, Stenmark, P.
Deposit date:2024-08-19
Release date:2025-09-03
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH14047
To Be Published
7S3G
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BU of 7s3g by Molmil
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center
Descriptor: CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K.
Deposit date:2021-09-06
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021

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数据于2025-10-29公开中

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