3OW3
 
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW4
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6IE2
 | | Crystal structure of methyladenine demethylase | | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | | Authors: | Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X. | | Deposit date: | 2018-09-13 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
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1N2D
 | | Ternary complex of MLC1P bound to IQ2 and IQ3 of Myo2p, a class V myosin | | Descriptor: | IQ2 AND IQ3 MOTIFS FROM MYO2P, A CLASS V MYOSIN, Myosin Light Chain | | Authors: | Terrak, M, Wu, G, Stafford, W.F, Lu, R.C, Dominguez, R. | | Deposit date: | 2002-10-22 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the light chain-binding domain of myosin V.
Proc.Natl.Acad.Sci.USA, 102, 2005
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6IE3
 | | Crystal structure of methyladenine demethylase | | Descriptor: | ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | | Authors: | Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X. | | Deposit date: | 2018-09-13 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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3OQU
 | | Crystal structure of native abscisic acid receptor PYL9 with ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9 | | Authors: | Zhang, X, Zhang, Q, Chen, Z. | | Deposit date: | 2010-09-04 | | Release date: | 2011-09-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
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5HC1
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5HBZ
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7WID
 | | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-01-03 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WGS
 | | Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2021-12-28 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WH5
 | | Crystal structure of human ClpP in complex with ZG180 | | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-12-29 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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2N8A
 | | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | | Deposit date: | 2015-10-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
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7XKG
 | | Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii .
Front Microbiol, 13, 2022
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7XST
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7YDW
 | | Crystal structure of the MPND-DNA complex | | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MPN domain-containing protein | | Authors: | Yang, M, Chen, Z. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structures of MPND Reveal the Molecular Recognition of Nucleosomes.
Int J Mol Sci, 24, 2023
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7Y0Z
 | | Crystal structure of Pseudomonas aeruginosa PvrA | | Descriptor: | TetR family transcriptional regulator | | Authors: | Liang, H, Zhang, Q, Bartlam, M. | | Deposit date: | 2022-06-06 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
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7YDT
 | | Crystal structure of mouse MPND | | Descriptor: | MPN domain containing protein | | Authors: | Yang, M, Chen, Z. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Structures of MPND Reveal the Molecular Recognition of Nucleosomes.
Int J Mol Sci, 24, 2023
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7Y0Y
 | | Crystal structure of Pseudomonas aeruginosa PvrA (SeMet) | | Descriptor: | TetR family transcriptional regulator | | Authors: | Liang, H, Zhang, Q, Bartlam, M. | | Deposit date: | 2022-06-06 | | Release date: | 2023-02-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
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4FWJ
 | | Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ... | | Authors: | Zhang, Q, Chen, Z. | | Deposit date: | 2012-07-01 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
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4FWE
 | | Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A | | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | | Authors: | Zhang, Q, Chen, Z. | | Deposit date: | 2012-07-01 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
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4EEV
 | | Crystal structure of c-Met in complex with LY2801653 | | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | | Authors: | Wang, Y, Stout, S.L. | | Deposit date: | 2012-03-28 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
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4FWF
 | | Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ... | | Authors: | Zhang, Q, Chen, Z. | | Deposit date: | 2012-07-01 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
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4O7X
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4PT1
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