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6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6L1W
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BU of 6l1w by Molmil
Zinc-finger Antiviral Protein (ZAP) bound to RNA
分子名称: RNA (5'-R(*CP*GP*UP*CP*GP*U)-3'), ZINC ION, Zinc finger CCCH-type antiviral protein 1
著者Luo, X, Wang, X, Gao, Y, Zhu, J, Liu, S, Gao, G, Gao, P.
登録日2019-09-30
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Molecular Mechanism of RNA Recognition by Zinc-Finger Antiviral Protein.
Cell Rep, 30, 2020
3BM8
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BU of 3bm8 by Molmil
crystal structure of YopH mutant D356A complexed with irreversible inhibitor PVSN
分子名称: Tyrosine-protein phosphatase yopH, phenyl ethenesulfonate
著者Zhang, Z.Y, Liu, S.J.
登録日2007-12-12
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
1PRQ
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BU of 1prq by Molmil
ACANTHAMOEBA CASTELLANII PROFILIN IA
分子名称: PROFILIN IA
著者Fedorov, A.A, Pollard, T.D, Way, M, Lattman, E.E, Almo, S.C.
登録日1997-08-18
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal packing induces a conformational change in profilin-I from Acanthamoeba castellanii.
J.Struct.Biol., 123, 1998
6KN9
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BU of 6kn9 by Molmil
Crystal structure of human interleukin 18 receptor beta extracellular domain in complex with an antagonistic scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18 receptor accessory protein, ...
著者Wu, D.H, Liu, C.C.
登録日2019-08-05
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献A Synthetic Human Antibody Antagonizes IL-18R beta Signaling Through an Allosteric Mechanism.
J.Mol.Biol., 432, 2020
6JC4
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BU of 6jc4 by Molmil
Crystal structure of the urease accessory protein UreF from Klebsiella pneumoniae
分子名称: Urease accessory protein UreF
著者Wu, W, Zhang, Q, Bartlam, M.
登録日2019-01-28
公開日2020-01-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of the urease accessory protein UreF from Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 78, 2022
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
分子名称: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
著者Liu, S.M, Wang, J.
登録日2023-02-17
公開日2023-07-12
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (7.09 Å)
主引用文献Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
8HGR
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BU of 8hgr by Molmil
The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942
分子名称: CHLORIDE ION, Flavodoxin, MAGNESIUM ION
著者Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P.
登録日2022-11-15
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
8HGQ
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BU of 8hgq by Molmil
The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942
分子名称: Flavodoxin, PHOSPHATE ION
著者Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P.
登録日2022-11-15
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8F4Q
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BU of 8f4q by Molmil
rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors
分子名称: 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Liu, S.
登録日2022-11-11
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers
To Be Published
8ERB
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BU of 8erb by Molmil
Crystal structure of Fub7 in complex with vinylglycine ketimine
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-11
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
8EQW
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BU of 8eqw by Molmil
Crystal structure of Fub7
分子名称: Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-10
公開日2023-10-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
8ERJ
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BU of 8erj by Molmil
Crystal structure of Fub7 in complex with E-2-aminocrotonate
分子名称: (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-12
公開日2023-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
4G2L
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BU of 4g2l by Molmil
Human PDE9 in complex with selective compound
分子名称: 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-07-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
4DCH
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BU of 4dch by Molmil
Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations
分子名称: (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
著者Greasley, S.E, Hickey, M, Feng, J, Garcia, E.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
4E90
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BU of 4e90 by Molmil
Human phosphodiesterase 9 in complex with inhibitors
分子名称: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-03-20
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
4G2J
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BU of 4g2j by Molmil
Human pde9 in complex with selective compound
分子名称: 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-07-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
8IVQ
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BU of 8ivq by Molmil
Cryo-EM structure of mouse BIRC6, Global map
分子名称: Isoform 2 of Baculoviral IAP repeat-containing protein 6
著者Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X.
登録日2023-03-28
公開日2024-01-24
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy.
Nat Commun, 15, 2024
7BU0
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BU of 7bu0 by Molmil
Crystal structure of a OTU deubiquitinase in complex with Ub-PA
分子名称: Polyubiquitin-B, Uncharacterized protein, prop-2-en-1-amine
著者Ouyang, S.Y, Zhen, X.K.
登録日2020-04-03
公開日2020-11-18
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Interplay between bacterial deubiquitinase and ubiquitin E3 ligase regulates ubiquitin dynamics on Legionella phagosomes.
Elife, 9, 2020
5Y6D
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BU of 5y6d by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
5Y6E
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VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
分子名称: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018

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