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4FMS
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BU of 4fms by Molmil
Crystal structure of Pseudomonas aeruginosa OccK2 (OpdF) in complex with glucuronate
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Probable porin, ...
Authors:van den Berg, B, Eren, E.
Deposit date:2012-06-18
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Toward Understanding the Outer Membrane Uptake of Small Molecules by Pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
4FK5
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BU of 4fk5 by Molmil
Structure of the SAGA Ubp8(S144N)/Sgf11/Sus1/Sgf73 DUB module
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ...
Authors:Samara, N.L, Ringel, A.E, Wolberger, C.
Deposit date:2012-06-12
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-02-28
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
3CDM
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BU of 3cdm by Molmil
Structural adaptation and conservation in quadruplex-drug recognition
Descriptor: 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DT*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DG)-3'), POTASSIUM ION
Authors:Parkinson, G.N, Neidle, S.
Deposit date:2008-02-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes
J.Mol.Biol., 381, 2008
4FKP
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BU of 4fkp by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cyclin-dependent kinase 2, SODIUM ION
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
3C96
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BU of 3c96 by Molmil
Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR240
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-15
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa.
To be Published
4FL0
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BU of 4fl0 by Molmil
Crystal structure of ALD1 from Arabidopsis thaliana
Descriptor: Aminotransferase ALD1, PYRIDOXAL-5'-PHOSPHATE
Authors:Sobolev, V, Edelman, M, Dym, O, Unger, T, Albeck, S, Kirma, M, Galili, G, Israel Structural Proteomics Center (ISPC)
Deposit date:2012-06-14
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of ALD1, a plant-specific homologue of the universal diaminopimelate aminotransferase enzyme of lysine biosynthesis.
Acta Crystallogr.,Sect.F, 69, 2013
3C9C
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BU of 3c9c by Molmil
Structural Basis of Histone H4 Recognition by p55
Descriptor: CADMIUM ION, Chromatin assembly factor 1 p55 subunit, Histone H4, ...
Authors:Song, J.J, Garlick, J.D, Kingston, R.E.
Deposit date:2008-02-15
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of histone H4 recognition by p55.
Genes Dev., 22, 2008
3C9K
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BU of 3c9k by Molmil
Model of Histone Octamer Tubular Crystals
Descriptor: Histone H2A-IV, Histone H2B 7, Histone H3.2, ...
Authors:Frouws, T.D.
Deposit date:2008-02-16
Release date:2009-01-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Histone octamer helical tubes suggest that an internucleosomal four-helix bundle stabilizes the chromatin fiber
Biophys.J., 96, 2009
3CE6
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BU of 3ce6 by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and adenosine
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-28
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
3CA2
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BU of 3ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
Descriptor: 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Eriksson, A.E, Jones, T.A, Liljas, A.
Deposit date:1989-10-02
Release date:1990-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
4FNH
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BU of 4fnh by Molmil
Crystal structure of IsdI-W66Y in complex with heme
Descriptor: Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2012-06-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
4FLV
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BU of 4flv by Molmil
Pyrococcus abyssi B family DNA polymerase bound to a dsDNA, in edition mode
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA polymerase 1, GLYCEROL, ...
Authors:Gouge, J, Delarue, M.
Deposit date:2012-06-15
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Recognition of Canonical and Deaminated Bases by P. abyssi Family B DNA Polymerase.
J.Mol.Biol., 423, 2012
3C9I
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BU of 3c9i by Molmil
Structure of P22 Tail-Needle GP26 Bound to Xenon Gas
Descriptor: CALCIUM ION, CHLORIDE ION, Tail needle protein gp26, ...
Authors:Cingolani, G, Olia, A.S.
Deposit date:2008-02-15
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural plasticity of the phage P22 tail needle gp26 probed with xenon gas.
Protein Sci., 18, 2009
4FNQ
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BU of 4fnq by Molmil
Crystal structure of GH36 alpha-galactosidase AgaB from Geobacillus stearothermophilus
Descriptor: 1,2-ETHANEDIOL, Alpha-galactosidase AgaB
Authors:Merceron, R, Foucault, M, Haser, R, Mattes, R, Watzlawick, H, Gouet, P.
Deposit date:2012-06-20
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular mechanism of the thermostable alpha-galactosidases AgaA and AgaB explained by X-ray crystallography and mutational studies
J.Biol.Chem., 287, 2012
3CAB
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BU of 3cab by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 7.0
Descriptor: GLYCEROL, Pheromone-binding protein ASP1
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2008-02-19
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
3CAH
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BU of 3cah by Molmil
Sambucus nigra aggutinin II. tetragonal crystal form- complexed to fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Maveyraud, L, Mourey, L.
Deposit date:2008-02-20
Release date:2008-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
3CAJ
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BU of 3caj by Molmil
Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2008-02-20
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
4FO1
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BU of 4fo1 by Molmil
Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, apo
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lincosamide resistance protein
Authors:Stogios, P.J, Wawrzak, Z, Minasov, G, Evdokimova, E, Egorova, O, Kudritska, M, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-06-20
Release date:2012-07-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, apo
TO BE PUBLISHED
3CB0
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CobR
Descriptor: 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE, FLAVIN MONONUCLEOTIDE
Authors:Lawrence, A.D, Warren, M.J, Pickersgill, R.W.
Deposit date:2008-02-21
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification, characterization, and structure/function analysis of a corrin reductase involved in adenosylcobalamin biosynthesis
J.Biol.Chem., 283, 2008
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
4FN0
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Crystal structure of mouse nectin-2 extracellular fragment D1-D2, 2nd crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2012-06-18
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FNC
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Human TDG in a post-reactive complex with 5-hydroxymethyluracil (5hmU)
Descriptor: 5-HYDROXYMETHYL URACIL, DNA (28-MER), DNA (29-MER), ...
Authors:Hashimoto, H, Hong, S, Bhagwat, A.S, Zhang, X, Cheng, X.
Deposit date:2012-06-19
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Excision of 5-hydroxymethyluracil and 5-carboxylcytosine by the thymine DNA glycosylase domain: its structural basis and implications for active DNA demethylation.
Nucleic Acids Res., 40, 2012
3CB5
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Crystal Structure of the S. pombe Peptidase Homology Domain of FACT complex subunit Spt16 (form A)
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FACT complex subunit spt16
Authors:Stuwe, T, Hothorn, M, Lejeune, E, Bortfeld-Miller, M, Scheffzek, K, Ladurner, A.G.
Deposit date:2008-02-21
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The FACT Spt16 "peptidase" domain is a histone H3-H4 binding module
Proc.Natl.Acad.Sci.USA, 105, 2008

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