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5DDB
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BU of 5ddb by Molmil
Menin in complex with MI-319
Descriptor: 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5UHL
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BU of 5uhl by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G
Descriptor: (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Elsen, N.L.
Deposit date:2017-01-11
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
3WA0
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BU of 3wa0 by Molmil
Crystal structure of merlin complexed with DCAF1/VprBP
Descriptor: Merlin, Protein VPRBP
Authors:Mori, T, Gotoh, S, Shirakawa, M, Hakoshima, T.
Deposit date:2013-04-20
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of DDB1-and-Cullin 4-associated Factor 1 (DCAF1) recognition by merlin/NF2 and its implication in tumorigenesis by CD44-mediated inhibition of merlin suppression of DCAF1 function.
Genes Cells, 19, 2014
5G2V
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BU of 5g2v by Molmil
Structure of BT4656 in complex with its substrate D-Glucosamine-2-N, 6-O-disulfate.
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, N-ACETYLGLUCOSAMINE-6-SULFATASE, ...
Authors:Cartmell, A, Lowe, E.C, Basle, A, Crouch, L.I, Czjzek, M, Turnbull, J, Henrissat, B, Terrapon, N, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N.
Deposit date:2016-04-14
Release date:2017-05-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UHO
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BU of 5uho by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with PUGNAc
Descriptor: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Elsen, N.L.
Deposit date:2017-01-11
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
5DEV
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BU of 5dev by Molmil
High resolution structure of CCG DNA repeats at 1.71 angstrom resolution
Descriptor: DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
Authors:Hou, M.H, Jhan, C.R.
Deposit date:2015-08-26
Release date:2016-09-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High resolution structure of CCG DNA repeats at 1.71 angstrom resolution
To Be Published
2CTW
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BU of 2ctw by Molmil
Solution structure of J-domain from mouse DnaJ subfamily C menber 5
Descriptor: DnaJ homolog subfamily C member 5
Authors:Kobayashi, N, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-21
Release date:2005-11-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of J-domain from mouse DnaJ subfamily C menber 5
To be Published
2CUO
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BU of 2cuo by Molmil
Collagen model peptide (PRO-PRO-GLY)9
Descriptor: COLLAGEN MODEL PEPTIDE (PRO-PRO-GLY)9
Authors:Hongo, C, Noguchi, K, Okuyama, K, Tanaka, Y, Nishino, N.
Deposit date:2005-05-27
Release date:2005-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Repetitive interactions observed in the crystal structure of a collagen-model peptide, [(Pro-Pro-Gly)9]3
J.Biochem.(Tokyo), 138, 2005
5CPR
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BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
Descriptor: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
Authors:Jakob, C.G, Upadhyay, A.K, Sun, C.
Deposit date:2015-07-21
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
2CL3
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BU of 2cl3 by Molmil
Crystal structure of human Cleavage and Polyadenylation Specificity Factor 5 (CPSF5)
Descriptor: CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 5
Authors:Stenmark, P, Hogbom, M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
Deposit date:2006-04-25
Release date:2006-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site.
Proteins, 73, 2008
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
Descriptor: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pochapsky, T.C, Tietz, D.R.
Deposit date:2017-01-12
Release date:2017-08-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
5DIS
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BU of 5dis by Molmil
Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Monecke, T, Port, S.A, Dickmanns, A, Kehlenbach, R.H, Ficner, R.
Deposit date:2015-09-01
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export.
Cell Rep, 13, 2015
5G4F
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BU of 5g4f by Molmil
Structure of the ADP-bound VAT complex
Descriptor: VCP-LIKE ATPASE
Authors:Huang, R, Ripstein, Z.A, Augustyniak, R, Lazniewski, M, Ginalski, K, Kay, L.E, Rubinstein, J.L.
Deposit date:2016-05-12
Release date:2016-07-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Unfolding the Mechanism of the Aaa+ Unfoldase Vat by a Combined Cryo-Em, Solution NMR Study.
Proc.Natl.Acad.Sci.USA, 113, 2016
2CAX
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BU of 2cax by Molmil
STRUCTURAL BASIS FOR COOPERATIVE BINDING OF RIBBON-HELIX-HELIX REPRESSOR OMEGA TO MUTATED DIRECT DNA HEPTAD REPEATS
Descriptor: 5'-D(*CP*TP*TP*GP*TP*GP*AP*CP*TP*TP *GP*TP*GP*AP*TP*TP*CP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*AP *TP*CP*AP*CP*AP*AP*G)-3', 5'-D(*GP*AP*AP*TP*CP*AP*CP*AP*AP*GP *TP*CP*AP*CP*AP*AP*GP*C)-3', ...
Authors:Weihofen, W.A, Cicek, A, Pratto, F, Alonso, J.C, Saenger, W.
Deposit date:2005-12-23
Release date:2006-03-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription.
Nucleic Acids Res., 34, 2006
5GNL
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BU of 5gnl by Molmil
Cytochrome P450 Vdh (CYP107BR1) F106V mutant
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017
5TTB
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BU of 5ttb by Molmil
Solution structure of apo ArCP from yersiniabactin synthetase
Descriptor: Siderophore yersiniabactin
Authors:Frueh, D.P, Goodrich, A.C.
Deposit date:2016-11-02
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular impact of covalent modifications on nonribosomal peptide synthetase carrier protein communication.
J. Biol. Chem., 292, 2017
1ZIZ
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BU of 1ziz by Molmil
Crystal Structure of Human Galactosyltransferase (GTB) Complexed with Galactose
Descriptor: ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase; transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V.
Deposit date:2005-04-27
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
2CHI
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BU of 2chi by Molmil
Recombinant human H ferritin, K86Q and E27D mutant
Descriptor: CALCIUM ION, FERRITIN HEAVY CHAIN, GLYCEROL, ...
Authors:Toussaint, L, Crichton, R.R, Declercq, J.P.
Deposit date:2006-03-15
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites.
J.Mol.Biol., 365, 2007
1Z6Z
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BU of 1z6z by Molmil
Crystal Structure of Human Sepiapterin Reductase in complex with NADP+
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Ugochukwu, E, Kavanagh, K, Ng, S, Arrowsmith, C, Edwards, A, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-03-23
Release date:2005-04-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Human Sepiapterin Reductase
To be Published
5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
Descriptor: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2015-07-16
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
2C8R
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BU of 2c8r by Molmil
insuline(60sec) and UV laser excited fluorescence
Descriptor: INSULIN A CHAIN, INSULIN B CHAIN
Authors:Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D.
Deposit date:2005-12-06
Release date:2006-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops.
Acta Crystallogr.,Sect.D, 62, 2006
1Z8D
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BU of 1z8d by Molmil
Crystal Structure of Human Muscle Glycogen Phosphorylase a with AMP and Glucose
Descriptor: ADENINE, ADENOSINE MONOPHOSPHATE, Glycogen phosphorylase, ...
Authors:Lukacs, C.M, Oikonomakos, N.G, Crowther, R.L, Hong, L.N, Kammlott, R.U, Levin, W, Li, S, Liu, C.M, Lucas-McGady, D, Pietranico, S, Reik, L.
Deposit date:2005-03-30
Release date:2006-03-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human muscle glycogen phosphorylase a with bound glucose and AMP: An intermediate conformation with T-state and R-state features.
Proteins, 63, 2006
5GIO
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BU of 5gio by Molmil
Crystal structure of box C/D RNP with 12 nt guide regions and 13 nt substrates
Descriptor: 50S ribosomal protein L7Ae, C/D RNA, C/D box methylation guide ribonucleoprotein complex aNOP56 subunit, ...
Authors:Yang, Z, Lin, J, Ye, K.
Deposit date:2016-06-24
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.604 Å)
Cite:Box C/D guide RNAs recognize a maximum of 10 nt of substrates
Proc.Natl.Acad.Sci.USA, 113, 2016
5UIF
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BU of 5uif by Molmil
Crystal Structure of Native Ps01740
Descriptor: Ps01740
Authors:LeVieux, J, Baas, B.J, Zhang, Y.J, Whitman, C.P.
Deposit date:2017-01-13
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Kinetic and structural characterization of a cis-3-Chloroacrylic acid dehalogenase homologue in Pseudomonas sp. UW4: A potential step between subgroups in the tautomerase superfamily.
Arch. Biochem. Biophys., 636, 2017
2CTT
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BU of 2ctt by Molmil
Solution structure of zinc finger domain from human DnaJ subfamily A menber 3
Descriptor: DnaJ homolog subfamily A member 3, ZINC ION
Authors:Kobayashi, N, Tochio, N, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-24
Release date:2005-11-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of zinc finger domain from human DnaJ subfamily A menber 3
To be Published

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