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9ENP
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BU of 9enp by Molmil
HSV-1 DNA polymerase-processivity factor complex in exonuclease state with 1-bp DNA mismatch
Descriptor: CALCIUM ION, DNA (46-MER), DNA (67-MER), ...
Authors:Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M.
Deposit date:2024-03-13
Release date:2024-05-29
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM.
Nucleic Acids Res., 2024
9EN6
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BU of 9en6 by Molmil
Crystal structure of RNA G2C4 repeats - native model pH 6.5
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Mateja-Pluta, M, Kiliszek, A.
Deposit date:2024-03-12
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.918 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 2024
9EMV
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BU of 9emv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-11
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EML
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BU of 9eml by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EMJ
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BU of 9emj by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EMC
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BU of 9emc by Molmil
RUVBL1/2 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RuvB-like 1, ...
Authors:Lopez-Perrote, A, Llorca, O, Garcia-Martin, C.
Deposit date:2024-03-11
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644
Cell Rep Phys Sci, 2024
9EMB
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BU of 9emb by Molmil
Structure of KefC Asp156Asn variant
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC
Authors:Gulati, A, Kokane, S, Drew, D.
Deposit date:2024-03-07
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structure of KefC Asp156Asn variant
To Be Published
9EMA
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BU of 9ema by Molmil
RUVBL1/2 in complex with ATP and CB-6644 inhibitor
Descriptor: 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lopez-Perrote, A, Llorca, O, Garcia-Martin, C.
Deposit date:2024-03-07
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644
Cell Rep Phys Sci, 2024
9DNA
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BU of 9dna by Molmil
CRYSTAL STRUCTURE ANALYSIS OF AN A-DNA FRAGMENT AT 1.8 ANGSTROMS RESOLUTION. D(GCCCGGGC)
Descriptor: DNA (5'-D(*GP*CP*CP*CP*GP*GP*GP*C)-3')
Authors:Heinemann, U.
Deposit date:1987-07-10
Release date:1988-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure analysis of an A-DNA fragment at 1.8 A resolution: d(GCCCGGGC).
Nucleic Acids Res., 15, 1987
9CGT
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BU of 9cgt by Molmil
STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOPENTAOSE
Descriptor: CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-1-thio-alpha-D-glucopyranose
Authors:Schmidt, A.K, Schulz, G.E.
Deposit date:1998-09-27
Release date:1998-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Eur.J.Biochem., 255, 1998
9CA2
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BU of 9ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
9BZB
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BU of 9bzb by Molmil
Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, SULFATE ION, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2
To Be Published
9BVV
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BU of 9bvv by Molmil
NMR structure of TLP-3 in solution
Descriptor: Temporin-1Tl
Authors:Jia, R, McShan, A.C.
Deposit date:2024-05-20
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
9BVU
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BU of 9bvu by Molmil
NMR structure of TLP-2 in solution
Descriptor: Temporin-1Tl
Authors:Jia, R, McShan, A.C.
Deposit date:2024-05-20
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
9BVS
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BU of 9bvs by Molmil
NMR structure of TLP-1 in solution
Descriptor: Temporin-1Tl
Authors:Jia, R, McShan, A.C.
Deposit date:2024-05-20
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
9BV0
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BU of 9bv0 by Molmil
NMR structure of the Z0 CCHC zinc-finger of transcription repressor Bcl11A
Descriptor: B-cell lymphoma/leukemia 11A, ZINC ION
Authors:Alexandrescu, A.T.
Deposit date:2024-05-18
Release date:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of the Z0 CCHC zinc-finger of transcription repressor Bcl11A
To Be Published
9BUV
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BU of 9buv by Molmil
Crystal structure of Cry1Fa R226Q
Descriptor: Pesticidal crystal protein Cry1Fa
Authors:Poland, B.W, Kakani, K, Yamamoto, T.
Deposit date:2024-05-17
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.024 Å)
Cite:Crystal structure of Cry1Fa R226Q
To Be Published
9BUN
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BU of 9bun by Molmil
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
Descriptor: 5-carboxy methylrhodamine, IRIDIUM HEXAMMINE ION, RNA (48-MER)
Authors:Batey, R.T, Siwik, S.H.
Deposit date:2024-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RhoBAST RNA aptamer in complex with 5(6)-carboxytetramethylrhodamine (TAMRA)
To Be Published
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-05-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9BNJ
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BU of 9bnj by Molmil
Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, CHLORIDE ION, ...
Authors:Phillips, R.S.
Deposit date:2024-05-02
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
To Be Published
9BNA
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BU of 9bna by Molmil
RE-REFINEMENT OF THE B-DODECAMER D(CGCGAATTCGCG) WITH A COMPARATIVE ANALYSIS OF THE SOLVENT IN IT AND IN THE Z-HEXAMER D(5BRCG5BRCG5BRCG)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Westhof, E.
Deposit date:1990-02-01
Release date:1991-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG).
J.Biomol.Struct.Dyn., 5, 1987
9BN9
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BU of 9bn9 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules
Descriptor: CHLORIDE ION, GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-05-02
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and two inhibitor A19 molecules
To be published
9BN8
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BU of 9bn8 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19
Descriptor: GLYCEROL, N-(4-{[(4S)-3-amino[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}phenyl)acetamide, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-05-02
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli in complex with UMA and inhibitor A19
To be published
9BLG
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BU of 9blg by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
Descriptor: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Bester, S.M, Wu, W.-I, Mou, T.-C.
Deposit date:2024-04-30
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
9BKZ
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BU of 9bkz by Molmil
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (CoA and ADP bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, COENZYME A, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-04-29
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (CoA and ADP bound)
To be published

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數據於2024-06-05公開中

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