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3F3V
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BU of 3f3v by Molmil
Kinase domain of cSrc in complex with inhibitor RL45 (Type II)
Descriptor: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Grutter, C, Kluter, S, Getlik, M, Rauh, D.
Deposit date:2008-10-31
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
4R65
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BU of 4r65 by Molmil
Ternary complex crystal structure of R258A mutant of DNA polymerase Beta
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
3EY9
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BU of 3ey9 by Molmil
Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Pyruvate dehydrogenase [cytochrome], ...
Authors:Neumann, P, Weidner, A, Pech, A, Stubbs, M.T, Tittmann, K.
Deposit date:2008-10-20
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
3W8M
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BU of 3w8m by Molmil
Crystal Structure of HasAp with Iron Salophen
Descriptor: 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, Heme acquisition protein HasAp
Authors:Shirataki, C, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2013-03-19
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Inhibition of Heme Uptake in Pseudomonas aeruginosa by its Hemophore (HasAp ) Bound to Synthetic Metal Complexes
Angew.Chem.Int.Ed.Engl., 53, 2014
3WBK
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BU of 3wbk by Molmil
crystal structure analysis of eukaryotic translation initiation factor 5B and 1A complex
Descriptor: Eukaryotic translation initiation factor 1A, Eukaryotic translation initiation factor 5B
Authors:Zheng, A, Yamamoto, R, Ose, T, Yu, J, Tanaka, I, Yao, M.
Deposit date:2013-05-20
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:X-ray structures of eIF5B and the eIF5B-eIF1A complex: the conformational flexibility of eIF5B is restricted on the ribosome by interaction with eIF1A
Acta Crystallogr.,Sect.D, 70, 2014
3CTP
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BU of 3ctp by Molmil
Crystal structure of periplasmic binding protein/LacI transcriptional regulator from Alkaliphilus metalliredigens QYMF complexed with D-xylulofuranose
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, SODIUM ION, beta-D-xylulofuranose
Authors:Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-14
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of periplasmic binding protein/LacI transcriptional regulator from Alkaliphilus metalliredigens QYMF complexed with L-xylulose.
To be Published
3CPS
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BU of 3cps by Molmil
Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase
Descriptor: Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2008-04-01
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase.
To be Published
4R63
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BU of 4r63 by Molmil
Binary complex crystal structure of R258A mutant of DNA polymerase Beta
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
3CZT
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BU of 3czt by Molmil
Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 9
Descriptor: CALCIUM ION, Protein S100-B, ZINC ION
Authors:Ostendorp, T, Diez, J, Heizmann, C.W, Fritz, G.
Deposit date:2008-04-30
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.
Biochim.Biophys.Acta, 1813, 2011
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3D0O
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BU of 3d0o by Molmil
Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus
Descriptor: L-lactate dehydrogenase 1
Authors:Ho, M, Gutierrez, J.A, Almo, S.C, Schramm, V.L.
Deposit date:2008-05-02
Release date:2009-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus
To be Published
3D0Y
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BU of 3d0y by Molmil
Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5
Descriptor: CALCIUM ION, Protein S100-B, TETRAETHYLENE GLYCOL, ...
Authors:Ostendorp, T, Diez, J, Heizmann, C.W, Fritz, G.
Deposit date:2008-05-02
Release date:2009-04-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.
Biochim.Biophys.Acta, 1813, 2011
3CR6
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BU of 3cr6 by Molmil
Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.22 Angstrom resolution.
Descriptor: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-04-04
Release date:2009-03-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Two distinctive orientations of binding determined by a single mutation in the CRABPII mutant-C15-aldehyde complexes
To be Published
4R9N
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BU of 4r9n by Molmil
DeoR family transcriptional regulator from Listeria monocytogenes.
Descriptor: Lmo0547 protein
Authors:Osipiuk, J, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-05
Release date:2014-09-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:DeoR family transcriptional regulator from Listeria monocytogenes.
To be Published
3CRK
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BU of 3crk by Molmil
Crystal structure of the PDHK2-L2 complex.
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, POTASSIUM ION, ...
Authors:Green, T.J, Popov, K.M, Luo, M, Grigorian, A, Klyuyeva, A, Tuganova, A.
Deposit date:2008-04-07
Release date:2008-04-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2.
J.Biol.Chem., 283, 2008
3D2B
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BU of 3d2b by Molmil
Structure of 2D9, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
Descriptor: Lipase
Authors:Sankaranarayanan, R, Kamal, M.Z.
Deposit date:2008-05-08
Release date:2008-06-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Thermostable Bacillus subtilis lipases: in vitro evolution and structural insight
J.Mol.Biol., 381, 2008
3WS6
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BU of 3ws6 by Molmil
Crystal Structure of H-2D in complex with a mimotopic peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
3CT6
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BU of 3ct6 by Molmil
Crystal structure of DhaM of L. lactis
Descriptor: PTS-dependent dihydroxyacetone kinase, phosphotransferase subunit dhaM
Authors:Zurbriggen, A.
Deposit date:2008-04-11
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray Structures of the Three Lactococcus lactis Dihydroxyacetone Kinase Subunits and of a Transient Intersubunit Complex.
J.Biol.Chem., 283, 2008
4RG4
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BU of 4rg4 by Molmil
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation
Descriptor: Caprolactone, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Acs Chem.Biol., 9, 2014
3D5S
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BU of 3d5s by Molmil
Crystal Structure of Efb-C (R131A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
4RDN
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BU of 4rdn by Molmil
Structure of YTH-YTHDF2 in complex with m6A
Descriptor: N-methyladenosine, SULFATE ION, YTH domain-containing family protein 2
Authors:Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y.
Deposit date:2014-09-19
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition.
Cell Res., 24, 2014
3WV7
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BU of 3wv7 by Molmil
HcgE from Methanothermobacter marburgensis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Hmd co-occurring protein HcgE
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-05-16
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
3D7R
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BU of 3d7r by Molmil
Crystal structure of a putative esterase from Staphylococcus aureus
Descriptor: BROMIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Lam, R, Battaile, K.P, Chan, T, Romanov, V, Lam, K, Soloveychik, M, Wu-Brown, J, Pai, E.F, Chirgadze, N.Y.
Deposit date:2008-05-21
Release date:2009-06-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of a putative esterase from Staphylococcus aureus
To be Published
3WA2
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BU of 3wa2 by Molmil
High resolution crystal structure of copper amine oxidase from arthrobacter globiformis
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
4R72
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BU of 4r72 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (apo form)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC-type Fe3+ transport system, periplasmic component, ...
Authors:Sit, B, Calmettes, C, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015

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