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3UOT
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BU of 3uot by Molmil
Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J.
Deposit date:2011-11-17
Release date:2011-12-28
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
4OOI
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BU of 4ooi by Molmil
Reduced HlyU from Vibrio cholerae N16961
Descriptor: Transcriptional activator HlyU
Authors:Mukherjee, D, Datta, A.B, Chakrabarti, P.
Deposit date:2014-02-03
Release date:2014-12-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications
Biochim.Biophys.Acta, 1844, 2014
4OVX
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BU of 4ovx by Molmil
Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
Descriptor: 1,2-ETHANEDIOL, Xylose isomerase domain protein TIM barrel
Authors:Chang, C, Bigelow, L, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-01-22
Release date:2014-02-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
To be published
3UGC
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BU of 3ugc by Molmil
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
Descriptor: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2
Authors:Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M.
Deposit date:2011-11-02
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Cancer Discov, 2, 2012
4OOU
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BU of 4oou by Molmil
Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-mannanase
Authors:Kim, M.-K, An, Y.J, Jeong, C.-S, Cha, S.-S.
Deposit date:2014-02-04
Release date:2014-08-06
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-based investigation into the functional roles of the extended loop and substrate-recognition sites in an endo-beta-1,4-d-mannanase from the Antarctic springtail, Cryptopygus antarcticus.
Proteins, 82, 2014
3UP2
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BU of 3up2 by Molmil
Aurora A in complex with RPM1686
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
4OW4
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BU of 4ow4 by Molmil
Beta-trefoil designed by folding nucleus symmetric expansion ("Phifoil")
Descriptor: Beta-terfoil designed by folding nucleus symmetric expansion ("Phifoil"), SULFATE ION
Authors:Blaber, M, Longo, L.M.
Deposit date:2014-01-31
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Evolution and design of protein structure by folding nucleus symmetric expansion.
Structure, 22, 2014
3UGO
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BU of 3ugo by Molmil
Crystal structure of RNA-polymerase sigma subunit domain 2 complexed with -10 promoter element ssDNA oligo (TACAAT)
Descriptor: 5'-D(*TP*GP*TP*AP*CP*AP*AP*TP*GP*GP*G)-3', POTASSIUM ION, RNA polymerase sigma factor
Authors:Feklistov, A, Darst, S.A.
Deposit date:2011-11-02
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural basis for promoter-10 element recognition by the bacterial RNA polymerase sigma subunit.
Cell(Cambridge,Mass.), 147, 2011
4OWA
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BU of 4owa by Molmil
Carboplatin binding to HEWL under sodium iodide crystallisation conditions
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, IODIDE ION, ...
Authors:Tanley, S.W.M, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Chemical conversion of cisplatin and carboplatin with histidine in a model protein crystallized under sodium iodide conditions.
Acta Crystallogr.,Sect.F, 70, 2014
4OPP
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BU of 4opp by Molmil
Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 11-cyclohexylundecanoic acid and N- acetylglucosamine at 2.30 A resolution
Descriptor: 11-cyclohexylundecanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Yamini, S, Sharma, P, Yadav, S.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-02-06
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 11-cyclohexylundecanoic acid and N- acetylglucosamine at 2.30 A resolution
To be Published
3UPG
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BU of 3upg by Molmil
Loop deletion mutant of Salmonella typhi osmoporin (OmpC):an Outer Membrane Protein.
Descriptor: CALCIUM ION, CHLORIDE ION, Outer membrane protein C
Authors:Prasanth, P, Putcha, B.K, Arockiasamy, A, Krishnaswamy, S.
Deposit date:2011-11-18
Release date:2012-11-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of osmoporin (OmpC) loop deletion mutant: an Outer membrane protein from Salmonella typhi.
To be Published
3UGT
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BU of 3ugt by Molmil
Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase - orthorhombic crystal form
Descriptor: Threonyl-tRNA synthetase, mitochondrial, ZINC ION
Authors:Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M.
Deposit date:2011-11-02
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OPY
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BU of 4opy by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
Descriptor: CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ...
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-07
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4GJX
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BU of 4gjx by Molmil
Crystal structure of CD23 lectin domain mutant D258A
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor
Authors:Yuan, D, Sutton, B.J, Dhaliwal, B.
Deposit date:2012-08-10
Release date:2013-06-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
4OWM
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BU of 4owm by Molmil
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 3-fluoroanthranilate, PRPP and Magnesium
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-3-fluoranyl-benzoic acid, Anthranilate phosphoribosyltransferase, ...
Authors:Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S.
Deposit date:2014-02-02
Release date:2014-04-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
3UPN
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BU of 3upn by Molmil
Structure of penicillin-binding protein A from M. tuberculosis: imipenem acyl-enzyme complex
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Penicillin-binding protein A
Authors:Davies, C, Fedorovich, A.
Deposit date:2011-11-18
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The role of the beta5-alpha11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis
J.Mol.Biol., 418, 2012
2R9M
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BU of 2r9m by Molmil
Cathepsin S complexed with Compound 15
Descriptor: Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
4OX2
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BU of 4ox2 by Molmil
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Descriptor: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Holyoak, T.
Deposit date:2014-02-04
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three rare diseases in one Sib pair: RAI1, PCK1, GRIN2B mutations associated with Smith-Magenis Syndrome, cytosolic PEPCK deficiency and NMDA receptor glutamate insensitivity.
Mol.Genet.Metab., 113, 2014
3UHS
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BU of 3uhs by Molmil
HBI (L36M) deoxy
Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OQ4
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BU of 4oq4 by Molmil
Crystal Structure of E18A Human DJ-1
Descriptor: Protein DJ-1, SODIUM ION
Authors:Prahlad, J, Hauser, D.N, Milkovic, N.M, Cookson, M.R, Wilson, M.A.
Deposit date:2014-02-07
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Use of cysteine-reactive cross-linkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers.
J Neurochem, 130, 2014
4OQF
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BU of 4oqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-SR
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-09
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
3URG
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BU of 3urg by Molmil
The crystal structure of Anabaena CcbP
Descriptor: 5-MERCAPTO-2-NITRO-BENZOIC ACID, Alr1010 protein, SODIUM ION
Authors:Fan, X.X, Liu, X, Su, X.D.
Deposit date:2011-11-22
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Ellman's reagent in promoting crystallization and structure determination of Anabaena CcbP.
Acta Crystallogr.,Sect.F, 68, 2012
3UI2
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BU of 3ui2 by Molmil
Crystal structure of the cpSRP54 tail bound to cpSRP43
Descriptor: Signal recognition particle 43 kDa protein, chloroplastic, Signal recognition particle 54 kDa protein
Authors:Holdermann, I, Wild, K, Sinning, I.
Deposit date:2011-11-04
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.178 Å)
Cite:Chromodomains read the arginine code of post-translational targeting.
Nat.Struct.Mol.Biol., 19, 2012
4OYA
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BU of 4oya by Molmil
Human solAC Complexed with (4-Aminofurazan-3-yl)-[3-(1H-benzoimidazol-2-ylmethoxy)phenyl]methanone
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-11
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OQO
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BU of 4oqo by Molmil
Crystal structure of the tryptic generated iron-free C-lobe of bovine Lactoferrin at 2.42 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lactotransferrin
Authors:Singh, A, Rastogi, N, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-02-10
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of the iron-free true C-terminal half of bovine lactoferrin produced by tryptic digestion and its functional significance in the gut.
Febs J., 281, 2014

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