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PDB: 52259 results

3ZMG
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BU of 3zmg by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ...
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M.
Deposit date:2013-02-08
Release date:2013-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
5AXA
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BU of 5axa by Molmil
Crystal structure of mouse SAHH complexed with adenosine
Descriptor: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kusakabe, Y, Ishihara, M, Tanaka, N.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of mouse SAHH complexed with adenosine
To Be Published
2UXS
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BU of 2uxs by Molmil
2.7A crystal structure of inorganic pyrophosphatase (Rv3628) from Mycobacterium tuberculosis at pH 7.5
Descriptor: INORGANIC PYROPHOSPHATASE, PHOSPHATE ION
Authors:Cole, R.E, Cianci, M, Hall, J.F, Matsuda, T, Kigawa, T, Yokoyama, S, Hasnain, S.S, Tabernero, L.
Deposit date:2007-03-29
Release date:2008-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Rv3628: An Inorganic Pyrophosphatase from Mycobacterium Tuberculosis
To be Published
4JMV
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BU of 4jmv by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
Authors:Barelier, S, Fischer, M.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
3OOW
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BU of 3oow by Molmil
Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-31
Release date:2010-09-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Octameric structure of the phosphoribosylaminoimidazole carboxylase catalytic subunit from Francisella tularensis subsp. tularensis SCHU S4.
To be Published
5C2X
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BU of 5c2x by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (tetragonal form)
Descriptor: CARBONATE ION, Deoxyribose-phosphate aldolase, SULFATE ION, ...
Authors:Dick, M, Weiergraeber, O.H, Pietruszka, J.
Deposit date:2015-06-16
Release date:2016-02-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
4WXD
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BU of 4wxd by Molmil
Crystal structure of Mycobacterium tuberculosis OGT-R37K
Descriptor: GLYCEROL, Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M.
Deposit date:2014-11-13
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA.
Biochem.J., 473, 2016
2ADT
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BU of 2adt by Molmil
NMR structure of a 30 kDa GAAA tetraloop-receptor complex.
Descriptor: 43-MER
Authors:Davis, J.H, Tonelli, M, Scott, L.G, Jaeger, L, Williamson, J.R, Butcher, S.E.
Deposit date:2005-07-20
Release date:2005-07-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:RNA Helical Packing in Solution: NMR Structure of a 30 kDa GAAA Tetraloop-Receptor Complex
J.Mol.Biol., 351, 2005
2UXF
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BU of 2uxf by Molmil
Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 5.5
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A.
Deposit date:2007-03-28
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
5C3I
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BU of 5c3i by Molmil
Crystal structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Descriptor: DNA replication licensing factor MCM2,MCM2, Histone H3.1, Histone H4, ...
Authors:Wang, H, Wang, M, Yang, N, Xu, R.M.
Deposit date:2015-06-17
Release date:2015-07-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the quaternary complex of histone H3-H4 heterodimer with chaperone ASF1 and the replicative helicase subunit MCM2
Protein Cell, 6, 2015
1ZZF
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BU of 1zzf by Molmil
The DNA-bound solution structure of HPV-16 E2 DNA-binding domain
Descriptor: Regulatory protein E2
Authors:Eliseo, T, Nadra, A.D, De Prat-Gay, G, Paci, M, Cicero, O.D.
Deposit date:2005-06-14
Release date:2006-03-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The DNA-bound solution structure of HPV-16 E2 DNA-binding domain
to be published
8BF9
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BU of 8bf9 by Molmil
Molecular view of ER membrane remodeling by the Sec61/TRAP translocon.
Descriptor: 60S ribosomal protein L39, Large ribosomal subunit protein eL31, Large ribosomal subunit protein eL38, ...
Authors:Karki, S, Javanainen, M, Tranter, D, Rehan, S, Huiskonen, J, Happonen, L, Paavilainen, V.
Deposit date:2022-10-24
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Molecular view of ER membrane remodeling by the Sec61/TRAP translocon.
Embo Rep., 24, 2023
4WS1
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BU of 4ws1 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
2UYY
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Structure of the cytokine-like nuclear factor n-pac
Descriptor: N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U.
Deposit date:2007-04-20
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure of the Cytokine-Like Nuclear Factor N-Pac
To be Published
4WS5
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BU of 4ws5 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form III
Descriptor: 5-nitrouracil, CHLORIDE ION, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
5C4X
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BU of 5c4x by Molmil
Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Barnes, C.O, Calero, M, Malik, I, Spahr, H, Zhang, Q, Pullara, F, Kaplan, C.D, Calero, G.
Deposit date:2015-06-18
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble.
Mol.Cell, 59, 2015
2VA3
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BU of 2va3 by Molmil
Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *CP*TP*A)-3', 5'-D(*TP*TP*CP*AP*DFTP*TP*AP*GP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Irimia, A, Pallan, P.S, Egli, M.
Deposit date:2007-08-28
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structure and Activity of Y-Class DNA Polymerase Dpo4 from Sulfolobus Solfataricus with Templates Containing the Hydrophobic Thymine Analog 2,4-Difluorotoluene.
J.Biol.Chem., 282, 2007
2V25
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BU of 2v25 by Molmil
Structure of the Campylobacter jejuni antigen Peb1A, an aspartate and glutamate receptor with bound aspartate
Descriptor: ASPARTIC ACID, MAJOR CELL-BINDING FACTOR, ZINC ION
Authors:Muller, A, Dodson, E, del Rocio Leon-Kempis, M, Kelly, D.J, Wilkinson, A.J, Wilson, K.S.
Deposit date:2007-06-01
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A Bacterial Virulence Factor with a Dual Role as an Adhesin and a Solute Binding-Protein: The Crystal Structure at 1.5 A Resolution of the Peb1A Protein from the Food-Borne Human Pathogen Campylobacter Jejuni
J.Mol.Biol., 372, 2007
2VBA
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BU of 2vba by Molmil
beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor
Descriptor: 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1
Authors:Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M.
Deposit date:2007-09-06
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
5C4A
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BU of 5c4a by Molmil
Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Barnes, C.O, Calero, M, Malik, I, Saphr, H, Zhang, Q, Pullara, F, Kaplan, C.D, Calero, G.
Deposit date:2015-06-17
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble.
Mol.Cell, 59, 2015
262L
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BU of 262l by Molmil
STRUCTURAL CHARACTERISATION OF AN ENGINEERED TANDEM REPEAT CONTRASTS THE IMPORTANCE OF CONTEXT AND SEQUENCE IN PROTEIN FOLDING
Descriptor: LYSOZYME
Authors:Sagermann, M, Baase, W.A, Matthews, B.W.
Deposit date:1999-05-11
Release date:1999-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of an engineered tandem repeat contrasts the importance of context and sequence in protein folding.
Proc.Natl.Acad.Sci.USA, 96, 1999
4JGZ
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BU of 4jgz by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
291D
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BU of 291d by Molmil
CRYSTAL STRUCTURES OF OLIGODEOXYRIBONUCLEOTIDES CONTAINING 6'-ALPHA-METHYL AND 6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINES
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*(T48)P*(T48)P*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Portmann, S, Altmann, K.-H, Reynes, N, Egli, M.
Deposit date:1996-10-10
Release date:1996-11-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structures of Oligodeoxyribonucleotides Containing 6'-alpha-Methyl and 6'-alpha-Hydroxy Carbocyclic Thymidines
J.Am.Chem.Soc., 119, 1997
8BT3
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BU of 8bt3 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, catalytically active radical state solved by XFEL
Descriptor: Ribonucleoside-diphosphate reductase beta chain
Authors:Lebrette, H, Srinivas, V, Hogbom, M.
Deposit date:2022-11-27
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a ribonucleotide reductase R2 protein radical.
Science, 382, 2023
2UV8
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BU of 2uv8 by Molmil
Crystal structure of yeast fatty acid synthase with stalled acyl carrier protein at 3.1 angstrom resolution
Descriptor: FATTY ACID SYNTHASE SUBUNIT ALPHA (FAS2), FATTY ACID SYNTHASE SUBUNIT BETA (FAS1), FLAVIN MONONUCLEOTIDE
Authors:Leibundgut, M, Jenni, S, Frick, C, Ban, N.
Deposit date:2007-03-09
Release date:2007-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Substrate Delivery by Acyl Carrier Protein in the Yeast Fatty Acid Synthase
Science, 316, 2007

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