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3CBX
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BU of 3cbx by Molmil
The Dvl2 PDZ Domain in Complex with the C1 Inhibitory Peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Dishevelled-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CC8
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BU of 3cc8 by Molmil
Crystal structure of a putative methyltransferase (bce_1332) from bacillus cereus atcc 10987 at 1.64 A resolution
Descriptor: NICKEL (II) ION, Putative methyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-02-25
Release date:2008-03-04
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of putative methyltransferase from NDP-N-methyl-L-glucosamine biosynthetic pathway (NP_977653.1) from Bacillus cereus ATCC 10987 at 1.64 A resolution
To be published
3CCH
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BU of 3cch by Molmil
H-2Db complex with murine gp100
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Badia-Martinez, D, Achour, A.
Deposit date:2008-02-25
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of agonistic altered peptides for the robust induction of CTL directed towards H-2Db in complex with the melanoma-associated epitope gp100.
Cancer Res., 69, 2009
1DKO
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BU of 1dko by Molmil
CRYSTAL STRUCTURE OF TUNGSTATE COMPLEX OF ESCHERICHIA COLI PHYTASE AT PH 6.6 WITH TUNGSTATE BOUND AT THE ACTIVE SITE AND WITH HG2+ CATION ACTING AS AN INTERMOLECULAR BRIDGE
Descriptor: MERCURY (II) ION, PHYTASE, TUNGSTATE(VI)ION
Authors:Lim, D, Golovan, S, Forsberg, C.W, Jia, Z.
Deposit date:1999-12-08
Release date:2000-08-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structures of Escherichia coli phytase and its complex with phytate.
Nat.Struct.Biol., 7, 2000
3CCW
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BU of 3ccw by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
6IBM
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BU of 6ibm by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Rowland, R.J, Wu, L, Davies, G.J.
Deposit date:2018-11-30
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
3CD3
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BU of 3cd3 by Molmil
Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ...
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-26
Release date:2008-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
3CD9
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BU of 3cd9 by Molmil
Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments
Descriptor: Green fluorescent protein
Authors:Lohman, J.R.
Deposit date:2008-02-26
Release date:2008-08-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Development of a family of redox-sensitive green fluorescent protein indicators for use in relatively oxidizing subcellular environments
Biochemistry, 47, 2008
6I1A
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BU of 6i1a by Molmil
Crystal structure of rutinosidase from Aspergillus niger
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase
Authors:Pachl, P, Rezacova, P, Kapesova, J.
Deposit date:2018-10-28
Release date:2020-01-29
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
Febs J., 287, 2020
6ICE
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BU of 6ice by Molmil
Crystal structure of Hamster MIF
Descriptor: Macrophage migration inhibitory factor
Authors:Sundaram, R, Vasudevan, D.
Deposit date:2018-09-05
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Macrophage migration inhibitory factor of Syrian golden hamster shares structural and functional similarity with human counterpart and promotes pancreatic cancer.
Sci Rep, 9, 2019
3CDD
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BU of 3cdd by Molmil
Crystal structure of prophage MuSo2, 43 kDa tail protein from Shewanella oneidensis
Descriptor: Prophage MuSo2, 43 kDa tail protein
Authors:Chang, C, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-26
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of prophage MuSo2, 43 kDa tail protein from Shewanella oneidensis.
To be Published
6I23
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BU of 6i23 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
Deposit date:2018-10-31
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
6DW5
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BU of 6dw5 by Molmil
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1D9Z
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BU of 1d9z by Molmil
CRYSTAL STRUCTURE OF THE DNA REPAIR PROTEIN UVRB IN COMPLEX WITH ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, EXCINUCLEASE UVRABC COMPONENT UVRB, MAGNESIUM ION, ...
Authors:Theis, K, Chen, P.J, Skorvaga, M, Van Houten, B, Kisker, C.
Deposit date:1999-10-30
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of UvrB, a DNA helicase adapted for nucleotide excision repair.
EMBO J., 18, 1999
3CE5
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BU of 3ce5 by Molmil
A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19
Descriptor: 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine, DNA (5'-D(*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DT)-3'), POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G.N, Reszka, A.P, Neidle, S.
Deposit date:2008-02-28
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of DNA quadruplex recognition by an acridine drug.
J.Am.Chem.Soc., 130, 2008
8SX6
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BU of 8sx6 by Molmil
RNA duplex bound with GMP and AMP monomers
Descriptor: ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, W, Dantsu, Y.
Deposit date:2023-05-19
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
3CE7
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BU of 3ce7 by Molmil
Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
Descriptor: Specific mitochondrial acyl carrier protein
Authors:Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-02-28
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
3CA1
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BU of 3ca1 by Molmil
Sambucus nigra agglutinin II (SNA-II)- tetragonal crystal form- complexed to galactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Maveyraud, L, Mourey, L.
Deposit date:2008-02-19
Release date:2008-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
3CAL
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BU of 3cal by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5
Descriptor: Fibronectin, peptide from Fibronectin-binding protein A
Authors:Bingham, R.J.
Deposit date:2008-02-20
Release date:2008-08-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of fibronectin-binding sites from Staphylococcus aureus FnBPA in complex with fibronectin domains
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CBL
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BU of 3cbl by Molmil
Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide
Descriptor: Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide
Authors:Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-22
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation
Cell(Cambridge,Mass.), 134, 2008
6IFU
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BU of 6ifu by Molmil
Cryo-EM structure of type III-A Csm-CTR2-dsDNA complex
Descriptor: CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ...
Authors:You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
Deposit date:2018-09-21
Release date:2018-12-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
3CBZ
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BU of 3cbz by Molmil
The Dvl2 PDZ Domain in Complex with the N2 Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, Dishevelled-2, PHOSPHATE ION
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2008-02-23
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Inhibition of Wnt signaling by Dishevelled PDZ peptides
Nat.Chem.Biol., 5, 2009
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Descriptor: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wallace, M.B, Skene, R.J.
Deposit date:2008-02-25
Release date:2008-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008

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