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1NA8
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BU of 1na8 by Molmil
Crystal structure of ADP-ribosylation factor binding protein GGA1
Descriptor: ADP-ribosylation factor binding protein GGA1
Authors:Lui, W.W, Collins, B.M, Hirst, J, Motley, A, Millar, C, Schu, P, Owen, D.J, Robinson, M.S.
Deposit date:2002-11-27
Release date:2003-07-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding partners for the COOH-terminal appendage domains of the GGAs and gamma-adaptin
Mol.Cell.Biol., 14, 2003
2BL9
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BU of 2bl9 by Molmil
X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative
Descriptor: 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y.
Deposit date:2005-03-02
Release date:2005-09-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
1EEM
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BU of 1eem by Molmil
GLUTATHIONE TRANSFERASE FROM HOMO SAPIENS
Descriptor: GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE, SULFATE ION
Authors:Board, P, Coggan, M, Chelvanayagam, G, Easteal, S, Jermiin, L.S, Schulte, G.K, Danley, D.E, Hoth, L.R, Griffor, M.C, Kamath, A.V, Rosner, M.H, Chrunyk, B.A, Perregaux, D.E, Gabel, C.A, Geoghegan, K.F, Pandit, J.
Deposit date:2000-02-01
Release date:2000-08-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification, characterization, and crystal structure of the Omega class glutathione transferases.
J.Biol.Chem., 275, 2000
5O77
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BU of 5o77 by Molmil
Klebsiella pneumoniae OmpK35
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, OmpK35
Authors:van den berg, B, Pathania, M, Zahn, M.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
4P2I
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BU of 4p2i by Molmil
Crystal structure of the mouse SNX19 PX domain
Descriptor: MKIAA0254 protein
Authors:Collins, B.M.
Deposit date:2014-03-04
Release date:2014-09-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
4ZSK
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BU of 4zsk by Molmil
Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with N-acetylglucosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ...
Authors:Fillenberg, S.B, Muller, Y.A.
Deposit date:2015-05-13
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
7STD
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BU of 7std by Molmil
SCYTALONE DEHYDRATASE PLUS INHIBITOR 4
Descriptor: ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase
Authors:Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
Deposit date:1999-02-11
Release date:1999-12-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
6CB6
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BU of 6cb6 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4ZV8
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BU of 4zv8 by Molmil
Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene
Descriptor: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2015-05-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
1NKV
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BU of 1nkv by Molmil
X-RAY STRUCTURE OF YJHP FROM E.COLI NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER13
Descriptor: HYPOTHETICAL PROTEIN yjhP
Authors:Kuzin, A, Manor, P, Benach, J, Smith, P, Rost, B, Xiao, R, Montelione, G, Hunt, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-01-03
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-RAY STRUCTURE OF YJHP FROM E.COLI NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER13
To be published
2BD8
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BU of 2bd8 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
4UI1
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BU of 4ui1 by Molmil
Crystal structure of the human RGMC-BMP2 complex
Descriptor: 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
4UBA
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BU of 4uba by Molmil
Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26)
Descriptor: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, Casein kinase II subunit alpha
Authors:Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
Deposit date:2014-08-12
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
Descriptor: Flpp3
Authors:Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
Deposit date:2019-07-03
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
4UZE
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BU of 4uze by Molmil
R66A mutant of FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Martinez-Julvez, M, Herguedas, B, Milagros, M.
Deposit date:2014-09-05
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Quaternary Organization in a Bifunctional Prokaryotic Fad Synthetase: Involvement of an Arginine at its Adenylyltransferase Module on the Riboflavin Kinase Activity.
Biochim.Biophys.Acta, 1854, 2015
2BD5
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BU of 2bd5 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
3LM6
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BU of 3lm6 by Molmil
Crystal Structure of Stage V sporulation protein AD (spoVAD) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR525
Descriptor: Stage V sporulation protein AD
Authors:Forouhar, F, Su, M, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Northeast Structural Genomics Consortium Target SR525
To be Published
6CWV
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BU of 6cwv by Molmil
Protein Tyrosine Phosphatase 1B A122S mutant
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M.
Deposit date:2018-03-31
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98002291 Å)
Cite:Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
1EB3
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BU of 1eb3 by Molmil
YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 4,7-DIOXOSEBACIC ACID COMPLEX
Descriptor: 4,7-DIOXOSEBACIC ACID, 5-AMINOLAEVULINIC ACID DEHYDRATASE, ZINC ION
Authors:Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R.
Deposit date:2001-07-18
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
FEBS Lett., 503, 2001
7AO1
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BU of 7ao1 by Molmil
Crystal structure of CotB2 variant W288F in complex with alendronate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ...
Authors:Dimos, N, Driller, R, Loll, B.
Deposit date:2020-10-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
5A7T
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BU of 5a7t by Molmil
Crystal structure of Sulfolobus acidocaldarius Trm10 at 2.4 angstrom resolution.
Descriptor: DI(HYDROXYETHYL)ETHER, TRNA (ADENINE(9)-N1)-METHYLTRANSFERASE
Authors:Van Laer, B, Roovers, M, Wauters, L, Kasprzak, J, Dyzma, M, Deyaert, E, Feller, A, Bujnicki, J, Droogmans, L, Versees, W.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Insights Into tRNA Binding and Adenosine N1-Methylation by an Archaeal Trm10 Homologue.
Nucleic Acids Res., 44, 2016
7AT8
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BU of 7at8 by Molmil
Histone H3 recognition by nucleosome-bound PRC2 subunit EZH2.
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3.2, ...
Authors:Finogenova, K, Benda, C, Schaefer, I.B, Poepsel, S, Strauss, M, Mueller, J.
Deposit date:2020-10-29
Release date:2020-12-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for PRC2 decoding of active histone methylation marks H3K36me2/3.
Elife, 9, 2020
5A7I
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BU of 5a7i by Molmil
Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate
Descriptor: Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P.
Deposit date:2015-07-06
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
6P7K
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BU of 6p7k by Molmil
Structure of HMG-CoA reductase from Burkholderia cenocepacia
Descriptor: 3-hydroxy-3-methylglutaryl coenzyme A reductase, ADENOSINE-5'-DIPHOSPHATE, COENZYME A
Authors:Walker, A.M, Peacock, R.B, Hicks, C.W, Dewing, S.M, Lewis, K.M, Abboud, J, Stewart, S.W.A, Kang, C, Watson, J.M.
Deposit date:2019-06-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:Structural and Functional Characterization of Dynamic Oligomerization in Burkholderia cenocepacia HMG-CoA Reductase.
Biochemistry, 58, 2019

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