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4B2V
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BU of 4b2v by Molmil
S64, a spider venom toxin peptide from Sicarius dolichocephalus
Descriptor: S64
Authors:Loening, N.M, Wilson, Z.N, Zobel-Thropp, P.A, Binford, G.J.
Deposit date:2012-07-18
Release date:2013-01-16
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution Structures of Two Homologous Venom Peptides from Sicarius Dolichocephalus
Plos One, 8, 2013
5Z3L
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BU of 5z3l by Molmil
Structure of Snf2-nucleosome complex in apo state
Descriptor: DNA (167-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Li, M, Xia, X, Liu, X, Li, X, Chen, Z.
Deposit date:2018-01-08
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Mechanism of DNA translocation underlying chromatin remodelling by Snf2.
Nature, 567, 2019
5B32
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BU of 5b32 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.3.
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
Deposit date:2016-02-08
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
4QI9
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BU of 4qi9 by Molmil
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
Descriptor: Dihydrofolate reductase, METHOTREXATE
Authors:Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
To be Published
4B7I
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BU of 4b7i by Molmil
Crystal Structure of Human IgG Fc Bearing Hybrid-type Glycans
Descriptor: CHLORIDE ION, IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bowden, T.A, Baruah, K, Coles, C.H, Harvey, D.J, Song, B.D, Stuart, D.I, Aricescu, A.R, Scanlan, C.N, Jones, E.Y, Crispin, M.
Deposit date:2012-08-20
Release date:2012-10-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chemical and Structural Analysis of an Antibody Folding Intermediate Trapped During Glycan Biosynthesis.
J.Am.Chem.Soc., 134, 2012
3C6P
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BU of 3c6p by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
Descriptor: (2S)-2-(1H-indol-3-yl)pentanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
Authors:Tan, X.
Deposit date:2008-02-04
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7CV4
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BU of 7cv4 by Molmil
Quadruplex-duplex hybrid structure in the PIM1 gene, Form 2
Descriptor: DNA (26-MER)
Authors:Winnerdy, F.R, Tan, D.T.J, Lim, K.W, Phan, A.T.
Deposit date:2020-08-25
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Coexistence of two quadruplex-duplex hybrids in the PIM1 gene.
Nucleic Acids Res., 48, 2020
5CZV
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BU of 5czv by Molmil
Crystal structure of Notch3 NRR in complex with 20350 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fab 20350 heavy chain, ...
Authors:Hu, T, Fryer, C, Chopra, R, Clark, K.
Deposit date:2015-08-01
Release date:2016-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Characterization of activating mutations of NOTCH3 in T-cell acute lymphoblastic leukemia and anti-leukemic activity of NOTCH3 inhibitory antibodies.
Oncogene, 35, 2016
5Z3G
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BU of 5z3g by Molmil
Cryo-EM structure of a nucleolar pre-60S ribosome (Rpf1-TAP)
Descriptor: 25S rRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ...
Authors:Zhu, X, Zhou, D, Ye, K.
Deposit date:2018-01-06
Release date:2018-04-11
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM structure of an early precursor of large ribosomal subunit reveals a half-assembled intermediate.
Protein Cell, 10, 2019
4QHM
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BU of 4qhm by Molmil
I3.1 (unbound) from CH103 Lineage
Descriptor: I2 light chain, I3 heavy chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2014-05-28
Release date:2014-06-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
2ZSA
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BU of 2zsa by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
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 (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
5ZGG
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BU of 5zgg by Molmil
NMR structure of p75NTR transmembrane domain in complex with NSC49652
Descriptor: (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one, Tumor necrosis factor receptor superfamily member 16
Authors:Lin, Z, Ibanez, C.
Deposit date:2018-03-08
Release date:2019-03-13
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:A Small Molecule Targeting the Transmembrane Domain of Death Receptor p75NTRInduces Melanoma Cell Death and Reduces Tumor Growth.
Cell Chem Biol, 25, 2018
3Q8C
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BU of 3q8c by Molmil
Crystal structure of Protective Antigen W346F (pH 5.5)
Descriptor: CALCIUM ION, Protective antigen
Authors:Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G.
Deposit date:2011-01-06
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
2ZSD
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BU of 2zsd by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
4U81
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BU of 4u81 by Molmil
MEK1 Kinase bound to small molecule inhibitor G659
Descriptor: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Robarge, K.D, Ultsch, M.H, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
2ZS7
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BU of 2zs7 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with citrate anion
Descriptor: CITRATE ANION, GLYCEROL, Pantothenate kinase, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-03
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
1KO5
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BU of 1ko5 by Molmil
Crystal structure of gluconate kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Gluconate kinase, MAGNESIUM ION
Authors:Kraft, L, Sprenger, G.A, Lindqvist, Y.
Deposit date:2001-12-20
Release date:2002-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
4AVF
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BU of 4avf by Molmil
Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase
Descriptor: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE
Authors:McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H.
Deposit date:2012-05-25
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
1KLA
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BU of 1kla by Molmil
SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 1-17 OF 33 STRUCTURES
Descriptor: TRANSFORMING GROWTH FACTOR-BETA 1
Authors:Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A.
Deposit date:1996-01-16
Release date:1996-08-17
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996
4U1C
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BU of 4u1c by Molmil
Crystal structure of the eIF3a/eIF3c PCI-domain heterodimer
Descriptor: Eukaryotic translation initiation factor 3 subunit A, Eukaryotic translation initiation factor 3 subunit C
Authors:Erzberger, J.P, Schaefer, T, Ban, N.
Deposit date:2014-07-15
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
1KQJ
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BU of 1kqj by Molmil
Crystal Structure of a Mutant of MutY Catalytic Domain
Descriptor: A/G-SPECIFIC ADENINE GLYCOSYLASE, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Messick, T.E, Chmiel, N.H, Golinelli, M.P, David, S.S, Joshua-Tor, L.
Deposit date:2002-01-06
Release date:2002-04-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Noncysteinyl coordination to the [4Fe-4S]2+ cluster of the DNA repair adenine glycosylase MutY introduced via site-directed mutagenesis. Structural characterization of an unusual histidinyl-coordinated cluster.
Biochemistry, 41, 2002
4B1T
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BU of 4b1t by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Menzel, A, Neumann, P, Stubbs, M.T.
Deposit date:2012-07-12
Release date:2012-08-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
Descriptor: (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-25
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4ARS
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BU of 4ars by Molmil
Hafnia Alvei phytase apo form
Descriptor: ACETATE ION, GLYCEROL, HISTIDINE ACID PHOSPHATASE
Authors:Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S.
Deposit date:2012-04-26
Release date:2013-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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