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TitleGroup deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
Journal, issue, pagesTo Be Published
Publish dateOct 15, 2024 (structure data deposition date)
AuthorsSaini, M. / Chopra, A. / Aschenbrenner, J.C. / Marples, P.G. / Balcomb, B.H. / Fearon, D. / von Delft, F. / Ruiz, F.X. / Arnold, E.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.56 - 2.43 Å
Structure data

PDB-7hkb:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z438067480 (DNV2_NS5A-x0135)
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-7hkc:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z4628744292 (DNV2_NS5A-x0160)
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-7hkd:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53825479 (DNV2_NS5A-x0172)
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hke:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53860899 (DNV2_NS5A-x0174)
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-7hkf:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z55669204 (DNV2_NS5A-x0191)
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-7hkg:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z56953052 (DNV2_NS5A-x0210)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hkh:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z68299550 (DNV2_NS5A-x0248)
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7hki:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z68639747 (DNV2_NS5A-x0250)
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7hkj:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z71580604 (DNV2_NS5A-x0254)
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-7hkk:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z802824098 (DNV2_NS5A-x0279)
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hkl:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z818928496 (DNV2_NS5A-x0283)
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-7hkm:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z851110644 (DNV2_NS5A-x0288)
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-7hkn:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z952016136 (DNV2_NS5A-x0323)
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-7hko:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z106579662 (DNV2_NS5A-x0376)
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7hkp:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1198279205 (DNV2_NS5A-x0414)
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-7hkq:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1203329531 (DNV2_NS5A-x0428)
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-7hkr:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1262617180 (DNV2_NS5A-x0471)
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-7hks:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z198194394 (DNV2_NS5A-x0612)
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hkt:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1983897532 (DNV2_NS5A-x0615)
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-7hku:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z291279160 (DNV2_NS5A-x0741)
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-7hkv:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z300245038 (DNV2_NS5A-x0749)
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-7hkw:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z329734230 (DNV2_NS5A-x0789)
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-7hkx:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3765495818 (DNV2_NS5A-x0825)
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7hky:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z383325512 (DNV2_NS5A-x0829)
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7hkz:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with POB0029 (DNV2_NS5A-x0851)
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hl0:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with NCL-00023818 (DNV2_NS5A-x0963)
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-7hl1:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3241250482 (DNV2_NS5A-x1037)
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hl2:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3219959731 (DNV2_NS5A-x1046)
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-7hl3:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1741972704 (DNV2_NS5A-x1073)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7hl4:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with HL11 (DNV2_NS5A-x1094)
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7hl5:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z44548882 (DNV2_NS5A-x1149)
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-7hl6:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z31113727 (DNV2_NS5A-x1192)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hl7:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z48978335 (DNV2_NS5A-x1196)
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hl8:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z57157143 (DNV2_NS5A-x1212)
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-7hl9:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53833304 (DNV2_NS5A-x1217)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PO4:
PHOSPHATE ION

PDB-1am1:
ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

PDB-1ap7:
P19-INK4D FROM MOUSE, NMR, 20 STRUCTURES

ChemComp-8BT:
N-cyclopentylmethanesulfonamide

ChemComp-STV:
~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide

PDB-1bdl:
HIV-1 (2:31-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386

PDB-1bdk:
AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS

ChemComp-JOV:
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

ChemComp-TEK:
~{N}-(1-ethylbenzimidazol-2-yl)ethanamide

ChemComp-LQV:
(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

PDB-1bdj:
COMPLEX STRUCTURE OF HPT DOMAIN AND CHEY

ChemComp-LJR:
1-cyclohexyl-N-methylmethanesulfonamide

ChemComp-K24:
N,2-dimethyl-1,3-thiazole-5-carboxamide


ChemComp, No image

ChemComp-KBU:
Unknown entry

ChemComp-NUY:
[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone

PDB-1bdi:
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX

PDB-1bdh:
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX

PDB-1bdf:
STRUCTURE OF ESCHERICHIA COLI RNA POLYMERASE ALPHA SUBUNIT N-TERMINAL DOMAIN

ChemComp-O1M:
4-(4-fluorophenyl)piperazine-1-carboxamide

ChemComp-WMS:
5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine

ChemComp-LV4:
1-[2-(trifluoromethyloxy)phenyl]thiourea

ChemComp-O0P:
N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide

PDB-1aqb:
RETINOL-BINDING PROTEIN (RBP) FROM PIG PLASMA

PDB-1amz:
CHICKEN CITRATE SYNTHASE COMPLEX WITH NITROMETHYLDE-COA AND MALATE

ChemComp-UV7:
N-[(1H-pyrazol-4-yl)methyl]acetamide

PDB-1bdg:
HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE

ChemComp-PYZ:
4-IODOPYRAZOLE

ChemComp-HV2:
1,1-bis(oxidanylidene)thietan-3-ol

ChemComp-W3G:
pyridazin-3(2H)-one

ChemComp-HOW:
1,2-oxazol-3-amine

PDB-1bdm:
THE STRUCTURE AT 1.8 ANGSTROMS RESOLUTION OF A SINGLE SITE MUTANT (T189I) OF MALATE DEHYDROGENASE FROM THERMUS FLAVUS WITH INCREASED ENZYMATIC ACTIVITY

ChemComp-0XM:
1,1-diphenylmethanamine

PDB-1ajs:
REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE

PDB-1bdn:
CRYSTAL LATTICE PACKING IS IMPORTANT IN DETERMINING THE BEND OF A DNA DODECAMER CONTAINING AN ADENINE TRACT

PDB-1bdo:
STRUCTURE OF THE BIOTINYL DOMAIN OF ACETYL-COENZYME A CARBOXYLASE DETERMINED BY MAD PHASING

ChemComp-T6R:
1-ethyl-1H-benzimidazole

Source
  • dengue virus type 2
KeywordsVIRAL PROTEIN / Diamond Light Source / Rutgers University / I04-1 / READDI / Dengue Virus / crystallographic fragment screening / PanDDA / XChemExplorer

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