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6EDZ
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BU of 6edz by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA, form I
Descriptor: ACETYL COENZYME *A, Isocitrate lyase 2
Authors:Bashiri, G, Bhusal, R, Leung, I.
Deposit date:2018-08-12
Release date:2019-08-14
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
6IV9
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BU of 6iv9 by Molmil
the Cas13d binary complex
Descriptor: Cas13d, MAGNESIUM ION, crRNA (50-MER)
Authors:Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
Deposit date:2018-12-02
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
6EEY
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BU of 6eey by Molmil
Crystal structure of human Scribble PDZ4 R1110G Mutant
Descriptor: Protein scribble homolog
Authors:Janezic, E.M, Hsu, P, Hague, C.
Deposit date:2018-08-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.145 Å)
Cite:Scribble co-operatively binds multiple alpha1D-adrenergic receptor C-terminal PDZ ligands.
Sci Rep, 9, 2019
6I4V
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BU of 6i4v by Molmil
Alpha-1-antitrypsin Queen's (K154N) variant
Descriptor: 3-trimethylsilylpropane-1-sulfonic acid, Alpha-1-antitrypsin, GLYCINE
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2018-11-12
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
6E4C
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BU of 6e4c by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-17
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6EF5
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BU of 6ef5 by Molmil
14-3-3 with peptide
Descriptor: 14-3-3 protein zeta/delta, ARG-SER-LEU-SEP-ALA-PRO-GLY, LYS-LEU-SEP-LEU-GLN
Authors:Dhagat, U, Langendorf, C.G, Parker, M.W.P, Oakhill, J.S, Scott, J.W.
Deposit date:2018-08-16
Release date:2019-10-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:14-3-3 with peptide
To Be Published
6I5F
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BU of 6i5f by Molmil
Crystal structure of DNA-free E.coli MutS P839E dimer mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ...
Authors:Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K.
Deposit date:2018-11-13
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sharp kinking of a coiled-coil in MutS allows DNA binding and release.
Nucleic Acids Res., 47, 2019
6EGK
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BU of 6egk by Molmil
T181N Cucumene Synthase
Descriptor: Cucumene Synthase
Authors:Blank, P.N, Pemberton, T.A, Christianson, D.W.
Deposit date:2018-08-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
6I23
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BU of 6i23 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
Deposit date:2018-10-31
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
6I6O
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BU of 6i6o by Molmil
Circular permutant of ribosomal protein S6, swap helix 2, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6E47
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BU of 6e47 by Molmil
Crystal Structure of the Murine Norovirus VP1 P domain in complex with the CD300lf Receptor and Glycochenodeoxycholic Acid
Descriptor: 1,2-ETHANEDIOL, CMRF35-like molecule 1, GLYCOCHENODEOXYCHOLIC ACID, ...
Authors:Nelson, C.A, Fremont, D.H.
Deposit date:2018-07-16
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for murine norovirus engagement of bile acids and the CD300lf receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6I6Y
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BU of 6i6y by Molmil
Circular permutant of ribosomal protein S6, swap helix 2
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I77
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BU of 6i77 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I7H
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BU of 6i7h by Molmil
Crystal structure of dimeric FICD mutant K256S
Descriptor: Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6E4F
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BU of 6e4f by Molmil
Crystal structure of ARQ 531 in complex with the kinase domain of BTK
Descriptor: 1,2-ETHANEDIOL, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ...
Authors:Eathiraj, S.
Deposit date:2018-07-17
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.
Cancer Discov, 8, 2018
6EHS
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BU of 6ehs by Molmil
E. coli Hydrogenase-2 chemically reduced structure
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, DITHIONITE, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Evans, R.M, Beaton, S.E, Armstrong, F.A.
Deposit date:2017-09-15
Release date:2018-04-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping.
Biochem. J., 475, 2018
6EJC
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BU of 6ejc by Molmil
Human Xylosyltransferase 1 in complex with peptide QEEEGSGVGQGG
Descriptor: PHOSPHATE ION, Protein AMBP, SODIUM ION, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
6I38
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BU of 6i38 by Molmil
Crystal structure of nv2Pizza6-AYW, a circularly permuted designer protein
Descriptor: nv2Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
6I8W
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BU of 6i8w by Molmil
Crystal structure of a membrane phospholipase A, a novel bacterial virulence factor
Descriptor: Alpha/beta fold hydrolase, CARBON DIOXIDE, ISOPROPYL ALCOHOL, ...
Authors:Granzin, J, Batra-Safferling, R.
Deposit date:2018-11-21
Release date:2019-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa.
Elife, 11, 2022
6I97
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BU of 6i97 by Molmil
Structure of the ferrioxamine B transporter FoxA from Pseudomonas aeruginosa in complex with ferrioxamine B and a C-terminal TonB fragment
Descriptor: Ferrioxamine B, Protein TonB, TonB-dependent receptor
Authors:Josts, I, Tidow, H.
Deposit date:2018-11-22
Release date:2019-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Ternary structure of the outer membrane transporter FoxA with resolved signalling domain provides insights into TonB-mediated siderophore uptake.
Elife, 8, 2019
6I9V
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BU of 6i9v by Molmil
Crystal structure of the halohydrin dehalogenase HheG T123G mutant
Descriptor: Putative oxidoreductase
Authors:Kluenemann, T, Blankenfeldt, W, Schallmey, A.
Deposit date:2018-11-26
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.
Sci Rep, 9, 2019
6E4V
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BU of 6e4v by Molmil
The Crystal Structure of FhuE from E. coli in complex with its substrate Coprogen
Descriptor: COPROGEN, FhuE receptor, octyl beta-D-glucopyranoside
Authors:Grinter, R, Lithgow, T.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determination of the molecular basis for coprogen import by Gram-negative bacteria.
Iucrj, 6, 2019
6EN6
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BU of 6en6 by Molmil
Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor.
Descriptor: (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D.
Deposit date:2017-10-04
Release date:2018-03-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
J. Med. Chem., 61, 2018
6E4R
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BU of 6e4r by Molmil
Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9B
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Samara, N.L, Tabak, L.A, Ten Hagen, K.G.
Deposit date:2018-07-18
Release date:2018-09-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Nat Commun, 9, 2018
6EPB
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BU of 6epb by Molmil
Structure of Chitinase 42 from Trichoderma harzianum
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endochitinase 42, ...
Authors:Ramirez-Escudero, M, Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity.
Microb. Cell Fact., 17, 2018

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数据于2024-11-06公开中

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