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7NAS
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BU of 7nas by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (multibody refinement for body domain of 30S ribosome)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
2V4E
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BU of 2v4e by Molmil
A non-cytotoxic DsRed variant for whole-cell labeling
Descriptor: RED FLUORESCENT PROTEIN DRFP583
Authors:Strack, R.L, Strongin, D.E, Bhattacharyya, D, Tao, W, Berman, A, Broxmeyer, H.E, Keenan, R.J, Glick, B.S.
Deposit date:2008-09-20
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Noncytotoxic Dsred Variant for Whole-Cell Labeling.
Nat.Methods, 5, 2008
1P2R
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BU of 1p2r by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I78V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
2V7X
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BU of 2v7x by Molmil
X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE S158A mutant FROM STREPTOMYCES CATTLEYA COMPLEXED WITH the PRODUCTS, FDA and Met
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE
Authors:Robinson, D.A, Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
1P33
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BU of 1p33 by Molmil
Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX
Descriptor: METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Zhao, H, Bray, T, Ouellette, M, Zhao, M, Ferre, R.A, Matthews, D, Whiteley, J.M, Varughese, K.I.
Deposit date:2003-04-16
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of pteridine reductase (PTR1) from Leishmania tarentolae.
Acta Crystallogr.,Sect.D, 59, 2003
2VHL
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BU of 2vhl by Molmil
The Three-dimensional structure of the N-Acetylglucosamine-6- phosphate deacetylase from Bacillus subtilis
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, FE (III) ION, N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE, ...
Authors:Vincent, F, Yates, D, Garman, E, Davies, G.J.
Deposit date:2007-11-22
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Three-Dimensional Structure of the N-Acetylglucosamine-6-Phosphate Deacetylase from Bacillus Subtilis
J.Biol.Chem., 279, 2004
2V5K
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BU of 2v5k by Molmil
Class II aldolase HpcH - magnesium - oxamate complex
Descriptor: 2,4-DIHYDROXYHEPT-2-ENE-1,7-DIOIC ACID ALDOLASE, MAGNESIUM ION, OXAMIC ACID, ...
Authors:Rea, D, Fulop, V, Bugg, T.D.H, Roper, D.I.
Deposit date:2007-07-06
Release date:2007-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Mechanism of Hpch: A Metal Ion Dependent Class II Aldolase from the Homoprotocatechuate Degradation Pathway of Escherichia Coli.
J.Mol.Biol., 373, 2007
1RIO
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BU of 1rio by Molmil
Structure of bacteriophage lambda cI-NTD in complex with sigma-region4 of Thermus aquaticus bound to DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 27-MER, CALCIUM ION, ...
Authors:Jain, D, Nickels, B.E, Sun, L, Hochschild, A, Darst, S.A.
Deposit date:2003-11-17
Release date:2004-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a ternary transcription activation complex.
Mol.Cell, 13, 2004
2V77
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BU of 2v77 by Molmil
Crystal Structure of Human Carboxypeptidase A1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBOXYPEPTIDASE A1, OCTANE-1,3,5,7-TETRACARBOXYLIC ACID, ...
Authors:Pallares, I, Fernandez, D, Comellas-Bigler, M, Fernandez-Recio, J, Ventura, S, Aviles, F.X, Vendrell, J.
Deposit date:2007-07-27
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Direct interaction between a human digestive protease and the mucoadhesive poly(acrylic acid).
Acta Crystallogr. D Biol. Crystallogr., D64, 2008
5MPZ
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BU of 5mpz by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP007
Descriptor: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
1PG7
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BU of 1pg7 by Molmil
Murine 6A6 Fab in complex with humanized anti-Tissue Factor D3H44 Fab
Descriptor: humanized antibody D3H44, murine antibody 6A6 Fab fragment
Authors:Eigenbrot, C, Meng, Y.G, Krishnamurthy, R, Lipari, M.T, Presta, L, Devaux, B, Wong, T, Moran, P, Bullens, S, Kirchhofer, D.
Deposit date:2003-05-27
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into how an anti-idiotypic antibody against D3H44 (anti-tissue factor antibody) restores normal coagulation.
J.Mol.Biol., 331, 2003
2V3D
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BU of 2v3d by Molmil
acid-beta-glucosidase with N-butyl-deoxynojirimycin
Descriptor: (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ...
Authors:Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L.
Deposit date:2007-06-17
Release date:2007-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
7NDZ
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BU of 7ndz by Molmil
ThyX reconstituted with N5-carbinolamine flavin
Descriptor: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ...
Authors:Bou-Nader, C, Pecqueur, L, Hamdane, D.
Deposit date:2021-02-02
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
2V8E
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BU of 2v8e by Molmil
Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand.
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CHLORIDE ION, COMPLEMENT FACTOR H, ...
Authors:Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Tarelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M.
Deposit date:2007-08-07
Release date:2007-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration.
J.Exp.Med., 204, 2007
7NIY
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BU of 7niy by Molmil
E. coli NfsA with FMN
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Day, M.D, Jarrom, D, Hyde, E.I, White, S.A.
Deposit date:2021-02-14
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Biochem.J., 478, 2021
1PAV
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BU of 1pav by Molmil
SOLUTION NMR STRUCTURE OF HYPOTHETICAL PROTEIN TA1414 OF THERMOPLASMA ACIDOPHILUM
Descriptor: Hypothetical protein Ta1170/Ta1414
Authors:Monleon, D, Yee, A, Liu, C.S, Arrowsmith, C, Celda, B.
Deposit date:2003-05-14
Release date:2003-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of hypothetical protein TA1414 from Thermoplasma acidophilum.
J.Biomol.Nmr, 28, 2004
2VH6
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BU of 2vh6 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
Descriptor: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN
Authors:Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
Deposit date:2007-11-19
Release date:2008-12-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
5MK1
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BU of 5mk1 by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (CHMP4A peptide complex structure)
Descriptor: Charged multivesicular body protein 4a, Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017
2VIQ
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BU of 2viq by Molmil
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
Descriptor: 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B
Authors:Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator.
J.Med.Chem., 51, 2008
2V9G
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BU of 2v9g by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT Q6Y- L84W-E192A)
Descriptor: L(+)-TARTARIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-23
Release date:2008-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
7NQ6
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BU of 7nq6 by Molmil
High resolution crystal structure of C-terminal domain (residues 715-866) of Nucleoporin-98
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Nuclear pore complex protein Nup96, ...
Authors:Trakhanov, S, Goerlich, D, Huyton, T.
Deposit date:2021-03-01
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution crystal structure of C-terminal domain (residues 715-866) of Nucleoporin-98
To Be Published
2V9E
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BU of 2v9e by Molmil
L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT E192A- K248W-A273S)
Descriptor: ACETATE ION, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION
Authors:Grueninger, D, Schulz, G.E.
Deposit date:2007-08-23
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Designed Protein-Protein Association.
Science, 319, 2008
1PBH
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BU of 1pbh by Molmil
CRYSTAL STRUCTURE OF HUMAN RECOMBINANT PROCATHEPSIN B AT 3.2 ANGSTROM RESOLUTION
Descriptor: PROCATHEPSIN B
Authors:Podobnik, M, Turk, D.
Deposit date:1997-02-14
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of human procathepsin B at 3.2 and 3.3 Angstroms resolution reveal an interaction motif between a papain-like cysteine protease and its propeptide.
FEBS Lett., 384, 1996
1RIV
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BU of 1riv by Molmil
Anti-Cocaine Antibody M82G2 Complexed With meta-Oxybenzoylecgonine
Descriptor: 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ...
Authors:Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D.
Deposit date:2003-11-18
Release date:2003-12-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs
To be Published

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