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6NB9
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BU of 6nb9 by Molmil
Amyloid-Beta (20-34) with L-isoaspartate 23
Descriptor: Amyloid-beta A4 protein
Authors:Sawaya, M.R, Warmack, R.A, Boyer, D.R, Zee, C.T, Richards, L.S, Cascio, D, Gonen, T, Clarke, S.G, Eisenberg, D.S.
Deposit date:2018-12-06
Release date:2019-08-07
Last modified:2022-09-07
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
6NL5
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BU of 6nl5 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine triphosphate
To Be Published
6NLN
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BU of 6nln by Molmil
1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16)
Descriptor: 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6NNW
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BU of 6nnw by Molmil
Tsn15 in complex with substrate intermediate
Descriptor: (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ...
Authors:Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis
Nat Catal, 2019
6NSY
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BU of 6nsy by Molmil
X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.263 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6O3F
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BU of 6o3f by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-02-26
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and a difluoro cyclohexyl chromone ligand
to be published
6NL1
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BU of 6nl1 by Molmil
Structure of T. brucei MERS1 protein in its apo form
Descriptor: Mitochondrial edited mRNA stability factor 1, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2019-01-07
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei.
Rna, 26, 2020
6NLH
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BU of 6nlh by Molmil
Structure of human triose phosphate isomerase R189A
Descriptor: BROMIDE ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Richards, K.R, Roland, B.P, Palladino, M.J, VanDemark, A.P.
Deposit date:2019-01-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Missense variant in TPI1 (Arg189Gln) causes neurologic deficits through structural changes in the triosephosphate isomerase catalytic site and reduced enzyme levels in vivo.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
6NSX
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BU of 6nsx by Molmil
Yeast Hsh155 Ligand bound to Human Tat-SF1 Motif
Descriptor: CHLORIDE ION, HIV Tat-specific factor 1, Hsh155
Authors:Jenkins, J.L, Leach, J.R, Kielkopf, C.L.
Deposit date:2019-01-25
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cus2 enforces the first ATP-dependent step of splicing by binding to yeast SF3b1 through a UHM-ULM interaction.
Rna, 25, 2019
6NK1
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BU of 6nk1 by Molmil
EphA2 LBD in complex with bA-WLA-YRPKbio peptide
Descriptor: ACETATE ION, Ephrin type-A receptor 2, GLYCEROL, ...
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2019-01-04
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
6NLZ
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BU of 6nlz by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
Descriptor: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ...
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-10
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D
To Be Published
6NN0
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BU of 6nn0 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ...
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-14
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D
To Be Published
6NSZ
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BU of 6nsz by Molmil
X-ray reduced Catalase 3 from N.Crassa (0.526 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6NB8
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BU of 6nb8 by Molmil
Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment
Descriptor: S230 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
6NJQ
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BU of 6njq by Molmil
Structure of TBP-Hoogsteen containing DNA complex
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*GP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
Authors:Schumacher, M.A, Stelling, A.
Deposit date:2019-01-04
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Infrared Spectroscopic Observation of a G-C+Hoogsteen Base Pair in the DNA:TATA-Box Binding Protein Complex Under Solution Conditions.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NLJ
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BU of 6nlj by Molmil
1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12)
Descriptor: 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6NT1
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BU of 6nt1 by Molmil
Catalase 3 from N.Crassa in ferrous state (2.89 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6NVX
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BU of 6nvx by Molmil
Crystal structure of penicillin G acylase from Bacillus sp. FJAT-27231
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Blankenfeldt, W.
Deposit date:2019-02-05
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
6WQW
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BU of 6wqw by Molmil
Thermobacillus composti GH10 xylanase
Descriptor: Beta-xylanase, beta-D-xylopyranose
Authors:Briganti, L, Polikarpov, I.
Deposit date:2020-04-29
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Transformation of xylan into value-added biocommodities using Thermobacillus composti GH10 xylanase.
Carbohydr Polym, 247, 2020
6NEW
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BU of 6new by Molmil
Apo structure of the activated truncation of Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NLF
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BU of 6nlf by Molmil
1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6NF1
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BU of 6nf1 by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene vav, ...
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NS0
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BU of 6ns0 by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Cladosporin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Cladosporin
to be published
6NZC
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BU of 6nzc by Molmil
Crystal structure of E. coli fumarase C N326A variant with closed SS Loop at 1.40 angstrom resolution
Descriptor: CITRIC ACID, Fumarate hydratase class II
Authors:Weaver, T.M, May, J.F, Bhattacharyya, B.
Deposit date:2019-02-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020
6NKB
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BU of 6nkb by Molmil
Crystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
Descriptor: ATP-dependent dethiobiotin synthetase BioD, DEOXYCYTIDINE DIPHOSPHATE, MAGNESIUM ION
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-07
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Dethiobiotin Synthetase from Mycobacterium tuberculosis in complex with 2'-deoxycytidine diphosphate
To be published

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數據於2024-09-25公開中

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