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3PS0
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BU of 3ps0 by Molmil
The structure of the CRISPR-associated protein, csa2, from Sulfolobus solfataricus
分子名称: CRISPR-Associated protein, CSA2
著者Lintner, N.G, Sdano, M, Young, M.J, Lawrence, C.M.
登録日2010-11-30
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).
J.Biol.Chem., 286, 2011
3PV1
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BU of 3pv1 by Molmil
Crystal structure of the USP15 DUSP-UBL domains
分子名称: ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 15
著者Elliott, P.R, Urbe, S, Clague, M.J, Barsukov, I.L.
登録日2010-12-06
公開日2011-11-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural variability of the ubiquitin specific protease DUSP-UBL double domains.
Febs Lett., 585, 2011
4YSB
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BU of 4ysb by Molmil
Crystal structure of ETHE1 from Myxococcus xanthus
分子名称: FE (III) ION, Metallo-beta-lactamase family protein
著者Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C.
登録日2015-03-17
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5015 Å)
主引用文献Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
4YSK
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BU of 4ysk by Molmil
Crystal structure of apo-form SdoA from Pseudomonas putida
分子名称: Beta-lactamase domain protein, FE (III) ION
著者Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C.
登録日2015-03-17
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.466 Å)
主引用文献Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
4YSL
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BU of 4ysl by Molmil
Crystal structure of SdoA from Pseudomonas putida in complex with glutathione
分子名称: Beta-lactamase domain protein, FE (III) ION, GLUTATHIONE
著者Sattler, S.A, Wang, X, DeHan, P.J, Xun, L, Kang, C.
登録日2015-03-17
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4618 Å)
主引用文献Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-beta-lactamase Superfamily.
J.Biol.Chem., 290, 2015
7KS6
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BU of 7ks6 by Molmil
STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS
分子名称: 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose
著者Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H.
登録日2020-11-21
公開日2020-12-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
8I8Y
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BU of 8i8y by Molmil
A mutant of the C-terminal complex of proteins 4.1G and NuMA
分子名称: Engineered protein
著者Hu, X.
登録日2023-02-06
公開日2023-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
分子名称: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2021-11-18
公開日2022-02-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
分子名称: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
著者Jakob, C.G.
登録日2021-01-29
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.607 Å)
主引用文献Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2023-06-11
公開日2023-06-28
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
2JVN
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BU of 2jvn by Molmil
Domain C of human PARP-1
分子名称: Poly [ADP-ribose] polymerase 1, ZINC ION
著者Hoffman, D, Tao, Z, Liu, H.
登録日2007-09-24
公開日2008-05-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif.
Biochemistry, 47, 2008
4EXB
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BU of 4exb by Molmil
Putative aldo-keto reductase from Pseudomona aeruginosa
分子名称: Putative uncharacterized protein
著者Schnell, R, Schneider, G, Sandalova, T.
登録日2012-04-30
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ETR
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BU of 4etr by Molmil
X-ray structure of PA2169 from Pseudomonas aeruginosa
分子名称: Putative uncharacterized protein
著者Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G.
登録日2012-04-24
公開日2013-01-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ES6
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BU of 4es6 by Molmil
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
分子名称: CHLORIDE ION, Uroporphyrinogen-III synthase
著者Schnell, R, Schneider, G.
登録日2012-04-22
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
7N3U
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BU of 7n3u by Molmil
Crystal structure of human WEE1 kinase domain in complex with ZN-c3
分子名称: 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
著者Lee, C.C.
登録日2021-06-02
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5XEG
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BU of 5xeg by Molmil
The structure of OsALKBH1
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Oxidoreductase, ...
著者Wang, C, Guo, Y, Zeng, Z.
登録日2017-04-05
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
4EXA
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BU of 4exa by Molmil
Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein
著者Sandalova, T, Schnell, R, Schneider, G.
登録日2012-04-30
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
5XOI
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BU of 5xoi by Molmil
The structure of OsALKBH1
分子名称: MANGANESE (II) ION, Oxidoreductase, 2OG-Fe oxygenase family protein, ...
著者Wang, C, Guo, Y, Zeng, Z.
登録日2017-05-28
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
2LWS
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BU of 2lws by Molmil
NMR solution structure of PawS Derived Peptide 4 (PDP-4)
分子名称: PawS Derived Peptide 4 (PDP-4)
著者Elliott, A.G, Mylne, J.S, Rosengren, K.
登録日2012-08-06
公開日2013-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Evolutionary origins of a bioactive peptide buried within Preproalbumin.
Plant Cell, 26, 2014
2M0Q
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BU of 2m0q by Molmil
Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
分子名称: Potassium voltage-gated channel subfamily E member 2
著者Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C.
登録日2012-11-01
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.
Sci Rep, 4, 2014
2LWU
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BU of 2lwu by Molmil
NMR solution structure of PawS Derived Peptide 7 (PDP-7)
分子名称: PawS Derived Peptide 7 (PDP-7)
著者Elliott, A.G, Mylne, J.S, Rosengren, K.
登録日2012-08-06
公開日2013-08-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Evolutionary origins of a bioactive peptide buried within Preproalbumin.
Plant Cell, 26, 2014
6AI9
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BU of 6ai9 by Molmil
Cab2 mutant-H337A complex with phosphopantothenate
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019

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