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PDB: 51964 results

5E6I
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BU of 5e6i by Molmil
Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gao, M, Mariuzza, R.
Deposit date:2015-10-09
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2
To Be Published
5EAZ
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BU of 5eaz by Molmil
crystal form I of YfiB belonging to space groups P21
Descriptor: SULFATE ION, YfiB
Authors:Xu, M, Yang, X, Yang, X.-A, Zhou, L, Liu, T.-Z, Fan, Z, Jiang, T.
Deposit date:2015-10-17
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structural insights into the regulatory mechanism of the Pseudomonas aeruginosa YfiBNR system
Protein Cell, 7, 2016
7CIB
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BU of 7cib by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
5DJS
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BU of 5djs by Molmil
Thermobaculum terrenum O-GlcNAc transferase mutant - K341M
Descriptor: Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-02
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
5DLF
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BU of 5dlf by Molmil
Crystal Structure of Human DNA Polymerase Eta Inserting dATP Opposite O4-Methylhymidine
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Patra, A, OFlaherty, D.K, Egli, M.
Deposit date:2015-09-04
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Lesion Orientation ofO4-Alkylthymidine Influences Replication by Human DNA Polymeraseeta.
Chem Sci, 7, 2016
5DL9
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BU of 5dl9 by Molmil
Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ...
Authors:Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M.
Deposit date:2015-09-04
Release date:2015-09-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students
To Be Published
2ZS9
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BU of 2zs9 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Pantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PANTOTHENOIC ACID, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
1V5D
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The crystal structure of the active form chitosanase from Bacillus sp. K17 at pH6.4
Descriptor: PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), chitosanase
Authors:Adachi, W, Shimizu, S, Sunami, T, Fukazawa, T, Suzuki, M, Yatsunami, R, Nakamura, S, Takenaka, A.
Deposit date:2003-11-22
Release date:2004-12-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of family GH-8 chitosanase with subclass II specificity from Bacillus sp. K17
J.MOL.BIOL., 343, 2004
5DOK
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BU of 5dok by Molmil
Crystal structure of Tetrahymena p45C
Descriptor: MAGNESIUM ION, Telomerase associated protein p45
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
2MSP
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BU of 2msp by Molmil
MAJOR SPERM PROTEIN, BETA ISOFORM, ENGINEERED C59S/T90C MUTANT, PUTATIVE SUBFILAMENT STRUCTURE, PH 8.5
Descriptor: MAJOR SPERM PROTEIN
Authors:Bullock, T.L, Mccoy, A.J, Stewart, M.
Deposit date:1997-12-19
Release date:1998-04-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for amoeboid motility in nematode sperm.
Nat.Struct.Biol., 5, 1998
5DPO
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BU of 5dpo by Molmil
The crystal structure of uncharacterized protein (LPG2149) from Legionella pneumophila
Descriptor: Uncharacterized protein
Authors:Nocek, B, Cuff, M, Evdokimova, E, Joachimiak, A, Savchenko, A.
Deposit date:2015-09-13
Release date:2015-11-25
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:The crystal structure of uncharacterized protein (LPG2149) from Legionella pneumophila
To Be Published
2MUB
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BU of 2mub by Molmil
Solution structure of the analgesic sea anemone peptide APETx2
Descriptor: Toxin APETx2
Authors:Mobli, M, King, G.F, Rosengren, K.J, Jensen, J.E.
Deposit date:2014-09-07
Release date:2014-12-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Understanding the Molecular Basis of Toxin Promiscuity: The Analgesic Sea Anemone Peptide APETx2 Interacts with Acid-Sensing Ion Channel 3 and hERG Channels via Overlapping Pharmacophores.
J.Med.Chem., 57, 2014
2N4J
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BU of 2n4j by Molmil
Solution structure of a self complementary Xylonucleic Acid duplex
Descriptor: XNA (5'-R(*(8XG)P*(8XU)P*(8XG)P*(8XU)P*(8XA)P*(8XC)P*(8XA)P*(8XC))-3')
Authors:Maiti, M, Lescrinier, E, Herdewijn, P.
Deposit date:2015-06-19
Release date:2015-07-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Xylonucleic acid: synthesis, structure, and orthogonal pairing properties.
Nucleic Acids Res., 43, 2015
1UUD
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BU of 1uud by Molmil
NMR structure of a synthetic small molecule, rbt203, bound to HIV-1 TAR RNA
Descriptor: N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE, RNA (5'-(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP *CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C) -3')
Authors:Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F.
Deposit date:2003-12-18
Release date:2004-03-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots"
J.Mol.Biol., 336, 2004
5AM6
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BU of 5am6 by Molmil
Native FGFR1 with an inhibitor
Descriptor: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1
Authors:Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
1V1M
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BU of 1v1m by Molmil
CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ...
Authors:Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T.
Deposit date:2004-04-20
Release date:2004-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain Alpha-Keto Acid Decarboxylase/Dehydrogenase.
J.Biol.Chem., 279, 2004
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
Descriptor: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
1UNP
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BU of 1unp by Molmil
Crystal structure of the pleckstrin homology domain of PKB alpha
Descriptor: RAC-ALPHA SERINE/THREONINE KINASE
Authors:Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2003-09-12
Release date:2004-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
Descriptor: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
2MSC
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BU of 2msc by Molmil
NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
Authors:Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
Deposit date:2014-07-29
Release date:2015-06-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
5BYI
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Human carbonic anhydrase II with an azobenzene inhibitor (1d)
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Groll, M, Broichhagen, J.
Deposit date:2015-06-10
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Azobenzene-based inhibitors of human carbonic anhydrase II.
Beilstein J Org Chem, 11, 2015
5C17
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BU of 5c17 by Molmil
Crystal structure of the mercury-bound form of MerB2
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ...
Authors:Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
Deposit date:2015-06-13
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
5C1I
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m1A58 tRNA methyltransferase mutant - D170A
Descriptor: SULFATE ION, tRNA (adenine(58)-N(1))-methyltransferase TrmI
Authors:Ponchon, L, Degut, C, Folly-Klan, M, Barraud, P, Tisne, C.
Deposit date:2015-06-14
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The m1A58 modification in eubacterial tRNA: An overview of tRNA recognition and mechanism of catalysis by TrmI.
Biophys.Chem., 210, 2016
5BXQ
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BU of 5bxq by Molmil
Structure of the NTF2:RanGDP complex
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Stewart, M.
Deposit date:2015-06-09
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for molecular recognition between nuclear transport factor 2 (NTF2) and the GDP-bound form of the Ras-family GTPase Ran.
J.Mol.Biol., 277, 1998
5BY0
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BU of 5by0 by Molmil
Crystal structure of magnesium-bound Duf89 protein Saccharomyces cerevisiae
Descriptor: MAGNESIUM ION, Protein-glutamate O-methyltransferase
Authors:Nocek, B, Cuff, M, Cui, H, Xu, X, Savchenko, A, Joachimiak, A, Yakunin, A.
Deposit date:2015-06-09
Release date:2015-07-29
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of magnesium-bound Duf89 protein Saccharomyces cerevisiae
To Be Published

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