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3CUI
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BU of 3cui by Molmil
Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with sulfur substituted beta-1,4 xylotetraose
Descriptor: Exo-beta-1,4-glucanase, beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose
Authors:Kuntz, D.A, Saul, M, Rose, D.R.
Deposit date:2008-04-16
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the binding sites of Family 10 and 11 Xylanases with extended Oligosaccharides
to be published
4PXX
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BU of 4pxx by Molmil
Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
Descriptor: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ...
Authors:Boone, C.D, Habibzadegan, A, McKenna, R.
Deposit date:2014-03-25
Release date:2015-06-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
TO BE PUBLISHED
3D7M
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BU of 3d7m by Molmil
Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
Authors:Funk, M.A, Preininger, A.M, Oldham, W.M, Meier, S.M, Hamm, H.E, Iverson, T.M.
Deposit date:2008-05-21
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Helix dipole movement and conformational variability contribute to allosteric GDP release in Galphai subunits.
Biochemistry, 48, 2009
4Q7U
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BU of 4q7u by Molmil
Crystal structure of photoswitchable fluorescent protein PSmOrange2
Descriptor: GLYCEROL, PSmOrange2
Authors:Malashkevich, V.N, Pletnev, S, Almo, S.C.
Deposit date:2014-04-25
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Orange Fluorescent Proteins: Structural Studies of LSSmOrange, PSmOrange and PSmOrange2.
Plos One, 9, 2014
3VF3
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BU of 3vf3 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711
Descriptor: (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-09
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4PYZ
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BU of 4pyz by Molmil
Crystal structure of the first two Ubl domains of Deubiquitylase USP7
Descriptor: UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Walker, J.R, Dong, A, Ong, M.S, Dhe-Paganon, S, Kania, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-03-28
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of the first two Ubl domains of Deubiquitylase USP7
to be published
3VG1
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BU of 3vg1 by Molmil
Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a soaking experiment
Descriptor: (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2012-01-10
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
4PZG
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BU of 4pzg by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, NITRATE ION, Sorting nexin-10
Authors:Xu, T, Xu, J, Wang, Q, Liu, J.
Deposit date:2014-03-30
Release date:2014-09-24
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
3D0S
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BU of 3d0s by Molmil
cAMP receptor protein from m.tuberculosis, cAMP-free form
Descriptor: CHLORIDE ION, TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Gallagher, D.T, Robinson, H, Reddy, P.T.
Deposit date:2008-05-02
Release date:2009-02-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cAMP receptor protein from M. tuberculosis in the unliganded form
To be Published
3VGL
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BU of 3vgl by Molmil
Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose and AMPPNP
Descriptor: Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
Authors:Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
3VVS
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BU of 3vvs by Molmil
Crystal structure of MATE in complex with MaD3S
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide
Authors:Tanaka, Y, Ishitani, R, Nureki, O.
Deposit date:2012-07-27
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3CIP
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BU of 3cip by Molmil
Complex of Dictyostelium Discoideum Actin with Gelsolin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-11
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3D1F
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BU of 3d1f by Molmil
Crystal structure of E. coli sliding clamp (beta) bound to a polymerase III peptide
Descriptor: 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate, DI(HYDROXYETHYL)ETHER, DNA polymerase III subunit beta, ...
Authors:Georgescu, R.E, Yurieva, O, Seung-Sup, K, Kuriyan, J, Kong, X.-P, O'Donnell, M.
Deposit date:2008-05-05
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a small-molecule inhibitor of a DNA polymerase sliding clamp.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3VW7
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BU of 3vw7 by Molmil
Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ...
Authors:Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K.
Deposit date:2012-08-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
3D2F
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BU of 3d2f by Molmil
Crystal structure of a complex of Sse1p and Hsp70
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Heat shock 70 kDa protein 1, ...
Authors:Polier, S, Bracher, A.
Deposit date:2008-05-08
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the cooperation of Hsp70 and Hsp110 chaperones in protein folding.
Cell(Cambridge,Mass.), 133, 2008
3CKH
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BU of 3ckh by Molmil
Crystal structure of Eph A4 receptor
Descriptor: Ephrin type-A receptor 4
Authors:Shi, J.H, Song, J.X.
Deposit date:2008-03-15
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure and NMR Binding Reveal That Two Small Molecule Antagonists Target the High Affinity Ephrin-binding Channel of the EphA4 Receptor.
J.Biol.Chem., 283, 2008
3D4D
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BU of 3d4d by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2008-05-14
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91E at cryogenic temperature.
To be Published
4QIY
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BU of 4qiy by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-03
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJI
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BU of 4qji by Molmil
Crystal Structure of the C-terminal CTP-binding domain of a Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase with bound CTP from Mycobacterium smegmatis
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantothenate--cysteine ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-06-03
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of the C-terminal CTP-binding domain of a Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase with bound CTP from Mycobacterium smegmatis
To be Published
4QJR
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BU of 4qjr by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution
Descriptor: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-04
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
Authors:Longo, L.M, Tenorio, C.A, Blaber, M.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
3VMK
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BU of 3vmk by Molmil
3-isopropylmalate dehydrogenase from Shewanella benthica DB21 MT-2
Descriptor: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ...
Authors:Nagae, T, Watanabe, N.
Deposit date:2011-12-13
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
Acta Crystallogr.,Sect.F, 68, 2012
4QOM
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BU of 4qom by Molmil
Bacillus pumilus catalase with pyrogallol bound
Descriptor: BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ...
Authors:Loewen, P.C.
Deposit date:2014-06-20
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
4QGG
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BU of 4qgg by Molmil
TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
3CGI
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BU of 3cgi by Molmil
Crystal structure of the PduU shell protein from the Pdu microcompartment
Descriptor: Propanediol utilization protein pduU
Authors:Crowley, C.S, Sawaya, M.R, Yeates, T.O.
Deposit date:2008-03-05
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the PduU Shell Protein from the Pdu Microcompartment of Salmonella
Structure, 16, 2008

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