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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
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
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
9BKY
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BU of 9bky by Molmil
Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)
Descriptor: GLYCEROL, SULFATE ION, XYPPX repeat family protein
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 (1.73 Å)
Cite:Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)
To be published
9BKW
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BU of 9bkw by Molmil
Crystal structure of a C2 domain from Trichomonas vaginalis
Descriptor: XYPPX repeat family protein
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 (1.85 Å)
Cite:Crystal structure of a C2 domain from Trichomonas vaginalis
To be published
9BKK
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BU of 9bkk by Molmil
Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex
Descriptor: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
Deposit date:2024-04-29
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling
To Be Published
9BKJ
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BU of 9bkj by Molmil
Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex
Descriptor: AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ...
Authors:Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
Deposit date:2024-04-29
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling
To Be Published
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-04-25
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9BJL
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BU of 9bjl by Molmil
Crystal structure of Influenza D virus Nucleoprotein (Oklahoma)
Descriptor: CHLORIDE ION, Nucleoprotein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-04-25
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of Influenza D virus Nucleoprotein (Oklahoma)
To be published
9BIV
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BU of 9biv by Molmil
Crystal Structure of Ubc13 with a New Active Site Loop Conformation
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Farraj, R.A, Edwards, R.A, Glover, J.N.M.
Deposit date:2024-04-24
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of Ubc13 with a New Active Site Loop Conformation
To Be Published
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
9BHA
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BU of 9bha by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BH9
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BU of 9bh9 by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology aligning conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BH8
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BU of 9bh8 by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology searching conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published

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