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2POB
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BU of 2pob by Molmil
PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709
Descriptor: GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma
Authors:Nolte, R.T.
Deposit date:2007-04-26
Release date:2008-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cocrystal structure guided array synthesis of PPARgamma inverse agonists
BIOORG.MED.CHEM.LETT., 17, 2007
2PNK
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BU of 2pnk by Molmil
CRYSTAL STRUCTURE OF AN URONATE ISOMERASE (BH0493) FROM BACILLUS HALODURANS C-125 AT 2.00 A RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BH0493 protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-04-24
Release date:2007-05-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of uncharacterized protein (NP_241359.1) from Bacillus halodurans at 2.00 A resolution
To be published
1GGM
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BU of 1ggm by Molmil
GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH GLYCYL-ADENYLATE
Descriptor: GLYCYL-ADENOSINE-5'-PHOSPHATE, Glycine--tRNA ligase
Authors:Arnez, J.G, Moras, D.
Deposit date:1999-01-27
Release date:1999-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Glycyl-tRNA synthetase uses a negatively charged pit for specific recognition and activation of glycine.
J.Mol.Biol., 286, 1999
1K0L
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BU of 1k0l by Molmil
Pseudomonas aeruginosa phbh R220Q free of p-OHB
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ...
Authors:Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L.
Deposit date:2001-09-19
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JVT
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BU of 1jvt by Molmil
CRYSTAL STRUCTURE OF RIBONUCLEASE A (LIGAND-FREE FORM)
Descriptor: RIBONUCLEASE A
Authors:Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L.
Deposit date:2001-08-31
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Reversible Substrate-Induced Domain Motions in Ribonuclease A
Proteins, 46, 2002
3BUN
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BU of 3bun by Molmil
Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty4
Descriptor: 13-meric peptide from Protein sprouty homolog 4, E3 ubiquitin-protein ligase CBL
Authors:Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J.
Deposit date:2008-01-03
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
1K0I
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BU of 1k0i by Molmil
Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ...
Authors:Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L.
Deposit date:2001-09-19
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
1K0J
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BU of 1k0j by Molmil
Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ...
Authors:Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L.
Deposit date:2001-09-19
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
6GGN
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BU of 6ggn by Molmil
In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor
Descriptor: (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2018-05-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
6GJ4
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BU of 6gj4 by Molmil
Tubulin-6j complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ...
Authors:Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S.
Deposit date:2018-05-16
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9601 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
4ZFZ
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BU of 4zfz by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with myristoylated 5-mer lipopeptide derived from SIV Nef protein
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-mer lipopeptide from Protein Nef, ...
Authors:Morita, D, Sugita, M.
Deposit date:2015-04-22
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex
Nat Commun, 7, 2016
7EC1
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BU of 7ec1 by Molmil
Crystal structure of SdgB (ligand-free form)
Descriptor: GLYCEROL, Glycosyl transferase, group 1 family protein, ...
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-03-11
Release date:2021-03-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
7XGA
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BU of 7xga by Molmil
NMR strucutre of chimeric protein for model of PHD-Stella complex
Descriptor: Chimera of E3 ubiquitin-protein ligase UHRF1 and Developmental pluripotency-associated protein 3, ZINC ION
Authors:Kobayashi, N, Konuma, T, Arita, K.
Deposit date:2022-04-04
Release date:2022-12-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the unique multifaceted interaction of DPPA3 with the UHRF1 PHD finger.
Nucleic Acids Res., 50, 2022
1B2I
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BU of 1b2i by Molmil
KRINGLE 2 DOMAIN OF HUMAN PLASMINOGEN: NMR SOLUTION STRUCTURE OF TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID (AMCHA) COMPLEX
Descriptor: PROTEIN (PLASMINOGEN), TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Marti, D.N, Schaller, J, Llinas, M.
Deposit date:1999-09-24
Release date:1999-11-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the plasminogen kringle 2-AMCHA complex: 3(1)-helix in homologous domains.
Biochemistry, 38, 1999
3KGQ
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BU of 3kgq by Molmil
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Descriptor: ACETONE, CITRIC ACID, Carboxypeptidase A1, ...
Authors:Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J.
Deposit date:2009-10-29
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A
Enzyme Res, 2011, 2011
3BUX
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BU of 3bux by Molmil
Crystal structure of c-Cbl-TKB domain complexed with its binding motif in c-Met
Descriptor: 13-meric peptide from Hepatocyte growth factor receptor, E3 ubiquitin-protein ligase CBL
Authors:Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J.
Deposit date:2008-01-03
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
4IYJ
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BU of 4iyj by Molmil
Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 A resolution
Descriptor: CHLORIDE ION, GDSL-like protein, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-28
Release date:2013-03-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 A resolution
To be published
3ENI
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BU of 3eni by Molmil
Crystal structure of the Fenna-Matthews-Olson Protein from Chlorobaculum Tepidum
Descriptor: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein
Authors:Tronrud, D, Camara-Artigas, A, Blankenship, R, Allen, J.P.
Deposit date:2008-09-25
Release date:2009-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria.
Photosynth.Res., 100, 2009
5KTC
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BU of 5ktc by Molmil
FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-galactose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, FdhC, ...
Authors:Salinger, A.J, Thoden, J.B, Holden, H.M.
Deposit date:2016-07-11
Release date:2016-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
2OUW
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BU of 2ouw by Molmil
Crystal structure of Alkylhydroperoxidase AhpD core (YP_425393.1) from Rhodospirillum rubrum ATCC 11170 at 1.95 A resolution
Descriptor: ACETIC ACID, Alkylhydroperoxidase AhpD core, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-02-12
Release date:2007-03-06
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Alkylhydroperoxidase AhpD core (YP_425393.1) from Rhodospirillum rubrum ATCC 11170 at 1.95 A resolution
To be published
3BUW
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BU of 3buw by Molmil
Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Syk
Descriptor: 13-meric peptide from Tyrosine-protein kinase SYK, E3 ubiquitin-protein ligase CBL
Authors:Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J.
Deposit date:2008-01-03
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
5SUO
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BU of 5suo by Molmil
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae
Descriptor: Extracellular solute-binding protein, IODIDE ION
Authors:Robb, M, Boraston, A.B.
Deposit date:2016-08-03
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
2Q7I
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BU of 2q7i by Molmil
The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide
Descriptor: Androgen receptor, GLYCEROL, SULFATE ION, ...
Authors:Gampe, R.T.
Deposit date:2007-06-06
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2A1O
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BU of 2a1o by Molmil
Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Poulos, T.L.
Deposit date:2005-06-20
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005

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