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5WYE
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BU of 5wye by Molmil
Structure of gold nano particle-tagged VG16KRKP in Salmonella typhi LPS
Descriptor: Au-VG16KRKP
Authors:Ilyas, H, Bhunia, A.
Deposit date:2017-01-12
Release date:2017-11-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multivalent gold nanoparticle-peptide conjugates for targeting intracellular bacterial infections
Nanoscale, 9, 2017
5Z31
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BU of 5z31 by Molmil
LPS bound solution structure of WS2-KG18
Descriptor: LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
Descriptor: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Jo, C.H, Killoran, R.C, Smith, M.J.
Deposit date:2019-10-04
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
7ZLW
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BU of 7zlw by Molmil
NME1 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-04-15
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZL8
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BU of 7zl8 by Molmil
NME1 in complex with succinyl-CoA
Descriptor: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-04-14
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZTK
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BU of 7ztk by Molmil
NME1 in complex with CoA
Descriptor: COENZYME A, Nucleoside diphosphate kinase A
Authors:Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
Deposit date:2022-05-10
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
5X02
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BU of 5x02 by Molmil
Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101
Descriptor: N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION
Authors:Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K.
Deposit date:2017-01-19
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations.
Blood, 131, 2018
6UEO
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BU of 6ueo by Molmil
Structure of A. thaliana TBP-AC mismatch DNA site
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
7Q0O
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BU of 7q0o by Molmil
E. coli NfsA
Descriptor: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase
Authors:White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I.
Deposit date:2021-10-15
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
5Z32
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BU of 5z32 by Molmil
LPS bound solution NMR structure of WS2-VR18
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
6UER
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BU of 6uer by Molmil
Crystal form 2: Structure of TBP bound to C-C mismatch at pH 7
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*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1
Authors:Schumacher, M.A, Al-Hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
6UEQ
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BU of 6ueq by Molmil
Structure of TBP bound to C-C mismatch containing TATA site
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*AP*CP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*C)-3'), SULFATE ION, ...
Authors:Schumacher, M.A, Al-Hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
8WQB
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BU of 8wqb by Molmil
Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQI
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BU of 8wqi by Molmil
Local refinement of FEM1B bound with the C-degron of CUX1
Descriptor: Protein CASP, Protein fem-1 homolog B
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQH
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BU of 8wqh by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQG
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BU of 8wqg by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 1)
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.09 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQF
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BU of 8wqf by Molmil
cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CUX1 (conformation 2)
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
4NIF
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BU of 4nif by Molmil
Heterodimeric structure of ERK2 and RSK1
Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ...
Authors:Gogl, G, Remenyi, A.
Deposit date:2013-11-06
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex
Proc.Natl.Acad.Sci.USA, 112, 2015
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
6XJ5
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BU of 6xj5 by Molmil
Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design
Descriptor: Carboxypeptidase G2, SULFATE ION, ZINC ION
Authors:Yachnin, B.J, Hansen, W.A, Khare, S.D.
Deposit date:2020-06-22
Release date:2021-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A Bis(imidazole)-based cysteine labeling tool for metalloprotein assembly.
J.Inorg.Biochem., 244, 2023
4MB9
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BU of 4mb9 by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13102335
Descriptor: 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ...
Authors:Ogg, D, Tucker, J.
Deposit date:2013-08-19
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
4MBC
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BU of 4mbc by Molmil
Structure of Streptococcus pneumonia ParE in complex with AZ13053807
Descriptor: 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit
Authors:Ogg, D, Tucker, J.
Deposit date:2013-08-19
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013

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數據於2024-07-03公開中

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