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PDB: 74 results

5E9Q
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
Descriptor: 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIF
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BU of 5eif by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
Descriptor: 2-azanyl-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-29
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHG
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BU of 5ehg by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
Descriptor: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-11-04
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHI
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BU of 5ehi by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
Descriptor: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIW
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BU of 5eiw by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-30
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EC8
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BU of 5ec8 by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
Descriptor: 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
3URP
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BU of 3urp by Molmil
Re-refinement of PDB entry 5RNT - ribonuclease T1 with guanosine-3',5'-diphosphate and phosphate ion bound
Descriptor: GUANOSINE-3',5'-DIPHOSPHATE, Guanyl-specific ribonuclease T1, PHOSPHATE ION, ...
Authors:Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
Deposit date:2011-11-22
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
4LQ8
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BU of 4lq8 by Molmil
Rickettsia rickettsii cell surface antigen 4 (sca4) head domain (residues 21-360)
Descriptor: Sca-family protein
Authors:Lee, J.H, Vonrhein, C, Bricogne, G, Izard, T.
Deposit date:2013-07-17
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the N-terminal domains of the surface cell antigen 4 of Rickettsia.
Protein Sci., 22, 2013
3P39
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BU of 3p39 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
3V56
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BU of 3v56 by Molmil
Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.
Descriptor: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
Authors:Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
Deposit date:2011-12-16
Release date:2012-03-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3P38
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BU of 3p38 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
3SY8
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BU of 3sy8 by Molmil
Crystal structure of the response regulator RocR
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RocR
Authors:Chen, M.W, Kotaka, M, Vonrhein, C, Bricogne, G, Lescar, J.
Deposit date:2011-07-16
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the regulatory mechanism of the response regulator RocR from Pseudomonas aeruginosa in cyclic Di-GMP signaling.
J.Bacteriol., 194, 2012
3U6X
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BU of 3u6x by Molmil
Phage TP901-1 baseplate tripod
Descriptor: BPP, BROMIDE ION, ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C.
Deposit date:2011-10-13
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VF0
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BU of 3vf0 by Molmil
Raver1 in complex with metavinculin L954 deletion mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ribonucleoprotein PTB-binding 1, ...
Authors:Lee, J.H, Vonrhein, C, Bricogne, G, Izard, T.
Deposit date:2012-01-09
Release date:2012-07-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The Metavinculin Tail Domain Directs Constitutive Interactions with Raver1 and vinculin RNA.
J.Mol.Biol., 422, 2012
3U8Z
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BU of 3u8z by Molmil
human merlin FERM domain
Descriptor: Merlin
Authors:Yogesha, S.D, Sharff, A.J, Giovannini, M, Bricogne, G, Izard, T.
Deposit date:2011-10-17
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Unfurling of the band 4.1, ezrin, radixin, moesin (FERM) domain of the merlin tumor suppressor.
Protein Sci., 20, 2011
3SYU
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BU of 3syu by Molmil
Re-refined coordinates for pdb entry 1det - ribonuclease T1 carboxymethylated at GLU 58 in complex with 2'GMP
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1, SODIUM ION, ...
Authors:Smart, O.S, Womack, T.O, Bricogne, G.
Deposit date:2011-07-18
Release date:2012-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3UH8
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BU of 3uh8 by Molmil
N-terminal domain of phage TP901-1 ORF48
Descriptor: ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C.
Deposit date:2011-11-03
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3S90
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BU of 3s90 by Molmil
Human vinculin head domain Vh1 (residues 1-252) in complex with murine talin (VBS33; residues 1512-1546)
Descriptor: Talin-1, Vinculin
Authors:Yogesha, S.D, Sharff, A, Bricogne, G, Izard, T.
Deposit date:2011-05-31
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Intermolecular versus intramolecular interactions of the vinculin binding site 33 of talin.
Protein Sci., 20, 2011
4DW4
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BU of 4dw4 by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 5'-UMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-24
Release date:2012-05-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
4DWC
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BU of 4dwc by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with Zn ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-24
Release date:2012-05-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
4DW3
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BU of 4dw3 by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with 5'-CMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-24
Release date:2012-05-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
4DWA
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BU of 4dwa by Molmil
Crystal structure of an active-site mutant of the glycoprotein Erns from the pestivirus BVDV-1 in complex with a CpUpC trinucleotide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-24
Release date:2012-05-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
4DVK
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BU of 4dvk by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 strain NCP-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-23
Release date:2012-05-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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