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6CHQ
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BU of 6chq by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Descriptor: 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
3HBC
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BU of 3hbc by Molmil
Crystal Structure of Choloylglycine Hydrolase from Bacteroides thetaiotaomicron VPI
Descriptor: 1,2-ETHANEDIOL, Choloylglycine hydrolase, GLYCEROL
Authors:Kim, Y, Bigelow, L, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-04
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Crystal Structure of Choloylglycine Hydrolase from Bacteroides thetaiotaomicron VPI
To be Published
4KSP
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BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
Descriptor: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Masanori, O.
Deposit date:2013-05-17
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
2YNX
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BU of 2ynx by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period
Descriptor: ACETATE ION, LACA THIOREDOXIN, SODIUM ION
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-19
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
3HBL
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BU of 3hbl by Molmil
Crystal Structure of S. aureus Pyruvate Carboxylase T908A Mutant
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Tong, L, Yu, L.P.C.
Deposit date:2009-05-04
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
Structure, 17, 2009
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
4J23
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BU of 4j23 by Molmil
Low resolution crystal structure of the FGFR2D2D3/FGF1/SR128545 complex
Descriptor: Fibroblast growth factor 1, Fibroblast growth factor receptor 2
Authors:Kudlinzki, D, Saxena, K, Sreeramulu, S, Schieborr, U, Dreyer, M, Schreuder, H, Schwalbe, H.
Deposit date:2013-02-04
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.882 Å)
Cite:Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling.
Cancer Cell, 23, 2013
6CKT
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BU of 6ckt by Molmil
Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
Descriptor: 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1
to be published
4J36
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BU of 4j36 by Molmil
Cocrystal Structure of kynurenine 3-monooxygenase in complex with UPF 648 inhibitor(KMO-394UPF)
Descriptor: (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
Deposit date:2013-02-05
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
3GXV
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BU of 3gxv by Molmil
Three-dimensional structure of N-terminal domain of DnaB Helicase from Helicobacter pylori and its interactions with primase
Descriptor: Replicative DNA helicase
Authors:Kashav, T, Nitharwal, R, Syed, A.A, Gabdoulkhakov, A, Saenger, W, Dhar, K.S, Gourinath, S.
Deposit date:2009-04-03
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structure of N-terminal domain of DnaB helicase and helicase-primase interactions in Helicobacter pylori
Plos One, 4, 2009
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
Descriptor: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
2YVX
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BU of 2yvx by Molmil
Crystal structure of magnesium transporter MgtE
Descriptor: MAGNESIUM ION, Mg2+ transporter MgtE
Authors:Hattori, M, Tanaka, Y, Fukai, S, Ishitani, R, Nureki, O.
Deposit date:2007-04-18
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the MgtE Mg(2+) transporter
Nature, 448, 2007
1MXS
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BU of 1mxs by Molmil
Crystal structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Descriptor: KDPG Aldolase, SULFATE ION
Authors:Watanabe, L, Bell, B.J, Lebioda, L, Rios-Steiner, J.L, Tulinsky, A, Arni, R.K.
Deposit date:2002-10-03
Release date:2003-09-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 59, 2003
1MYP
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BU of 1myp by Molmil
X-RAY CRYSTAL STRUCTURE OF CANINE MYELOPEROXIDASE AT 3 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MYELOPEROXIDASE, ...
Authors:Fenna, R.E, Zeng, J.
Deposit date:1992-04-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of canine myeloperoxidase at 3 A resolution.
J.Mol.Biol., 226, 1992
2YYL
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BU of 2yyl by Molmil
Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD
Descriptor: 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
4IVF
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BU of 4ivf by Molmil
Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
Descriptor: CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-01-22
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
To be Published
2FIM
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BU of 2fim by Molmil
Structure of the C-terminal domain of Human Tubby-like protein 1
Descriptor: 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1
Authors:Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C.
Deposit date:2005-12-29
Release date:2006-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of Human Tubby-like protein 1
To be published
6CSJ
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BU of 6csj by Molmil
Structure of a Bacillus coagulans polyol dehydrogenase double mutant with an acquired D-lactate dehydrogenase activity
Descriptor: Glycerol dehydrogenase
Authors:Hurlbert, J.C, St.John, F.J.
Deposit date:2018-03-20
Release date:2019-07-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Kinetic characterization and structure analysis of an altered polyol dehydrogenase with d-lactate dehydrogenase activity.
Protein Sci., 29, 2020
2F3Z
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BU of 2f3z by Molmil
Calmodulin/IQ-AA domain complex
Descriptor: CALCIUM ION, Calmodulin, Voltage-dependent L-type calcium channel alpha-1C subunit
Authors:Fallon, J.L, Quiocho, F.A.
Deposit date:2005-11-22
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Calmodulin Bound to the Hydrophobic IQ Domain of the Cardiac Ca(v)1.2 Calcium Channel.
Structure, 13, 2005
6CUZ
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BU of 6cuz by Molmil
Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate
Descriptor: (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ...
Authors:Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H.
Deposit date:2018-03-27
Release date:2018-09-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
2Y9J
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BU of 2y9j by Molmil
THREE-DIMENSIONAL MODEL OF SALMONELLA'S NEEDLE COMPLEX AT SUBNANOMETER RESOLUTION
Descriptor: LIPOPROTEIN PRGK, PROTEIN PRGH
Authors:Schraidt, O, Marlovits, T.C.
Deposit date:2011-02-15
Release date:2011-03-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Three-Dimensional Model of Salmonella'S Needle Complex at Subnanometer Resolution.
Science, 331, 2011
4IZV
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BU of 4izv by Molmil
The E41Q/C145A double mutant of the amidase from Nesterenkonia sp. AN1 in complex with acrylamide
Descriptor: Amidase, PROPIONAMIDE, prop-2-enamide
Authors:Kimani, S.W, Sewell, B.T.
Deposit date:2013-01-30
Release date:2014-02-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
To be Published
1MID
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BU of 1mid by Molmil
Non-specific lipid transfer protein 1 from barley in complex with L-alfa-lysophosphatidylcholine, Laudoyl
Descriptor: [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM, nonspecific lipid-transfer protein 1
Authors:Henriksen, A.
Deposit date:2002-08-23
Release date:2004-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Binding of L-alfa-lysophosphatidylcholine, lauroyl in the hydrophobic channel of barley lipid transfer protein
To be Published
1MHZ
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BU of 1mhz by Molmil
METHANE MONOOXYGENASE HYDROXYLASE
Descriptor: FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE
Authors:Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1996-10-21
Release date:1997-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b
Protein Sci., 6, 1997
6CFN
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BU of 6cfn by Molmil
Crystal Structure of the DNA-free Glucocorticoid Receptor DNA Binding Domain
Descriptor: Glucocorticoid receptor, ZINC ION
Authors:Frank, F, Okafor, C.D, Ortlund, E.A.
Deposit date:2018-02-15
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The first crystal structure of a DNA-free nuclear receptor DNA binding domain sheds light on DNA-driven allostery in the glucocorticoid receptor.
Sci Rep, 8, 2018

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