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8CVI
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BU of 8cvi by Molmil
Cryo-EM structure of the supercoiled EPEC H6 flagellar filament core Curly I waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-18
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
Descriptor: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
Authors:Lin, W, Xu, J.C.
Deposit date:2022-12-04
Release date:2023-06-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
3SJB
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BU of 3sjb by Molmil
Crystal structure of S. cerevisiae Get3 in the open state in complex with Get1 cytosolic domain
Descriptor: ATPase GET3, Golgi to ER traffic protein 1, PHOSPHATE ION, ...
Authors:Reitz, S, Wild, K, Sinning, I.
Deposit date:2011-06-21
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex.
Science, 333, 2011
5WYS
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BU of 5wys by Molmil
luciferase with inhibitor 3i
Descriptor: 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase
Authors:Gu, L, Su, J, Wang, F.
Deposit date:2017-01-15
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Inhibiting Firefly Bioluminescence by Chalcones
Anal. Chem., 89, 2017
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXC
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BU of 7mxc by Molmil
PRMT5:MEP50 complexed with adenosine
Descriptor: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXG
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BU of 7mxg by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
6J8L
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BU of 6j8l by Molmil
Phytophthora sojae effector PsAvh240 inhibits a host aspartic protease secretion to promote infection
Descriptor: Avh240, SULFATE ION
Authors:Guo, B.
Deposit date:2019-01-19
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phytophthora sojae Effector PsAvh240 Inhibits Host Aspartic Protease Secretion to Promote Infection.
Mol Plant, 12, 2019
4L45
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BU of 4l45 by Molmil
Crystal structures of human p70S6K1-T389E
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L43
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BU of 4l43 by Molmil
Crystal structures of human p70S6K1-T389A (form I)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
8SZY
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BU of 8szy by Molmil
Crystal Structure of Heterotrimeric Anti-TIGIT Fabs in complex with human TIGIT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BMS-986207 Fab Heavy Chain, BMS-986207 light chain, ...
Authors:Diong, S.J, Lee, P.S.
Deposit date:2023-05-30
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Biophysical characterization of PVR family interactions and therapeutic antibody recognition to TIGIT.
Mabs, 15, 2023
4L3L
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BU of 4l3l by Molmil
Crystal structures of human p70S6K1 kinase domain (Zinc anomalous)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, ZINC ION
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-06
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L3J
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BU of 4l3j by Molmil
Crystal structures of human p70S6K1 kinase domain
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, ZINC ION
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-06
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
5HZG
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BU of 5hzg by Molmil
The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex
Descriptor: (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ...
Authors:Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
Deposit date:2016-02-02
Release date:2016-08-03
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
5HYW
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BU of 5hyw by Molmil
The crystal structure of the D3-ASK1 complex
Descriptor: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A
Authors:Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
Deposit date:2016-02-02
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
4L44
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BU of 4l44 by Molmil
Crystal structures of human p70S6K1-T389A (form II)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
Descriptor: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
Deposit date:2016-02-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
Descriptor: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
Authors:Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
Deposit date:2016-02-19
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
4L42
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BU of 4l42 by Molmil
Crystal structures of human p70S6K1-PIF
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L46
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BU of 4l46 by Molmil
Crystal structures of human p70S6K1-WT
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
5Y3X
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BU of 5y3x by Molmil
Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis
Descriptor: Beta-xylanase
Authors:Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J.
Deposit date:2017-07-31
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis.
J. Agric. Food Chem., 66, 2018
7BZ5
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BU of 7bz5 by Molmil
Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of B38, Light chain of B38, ...
Authors:Wu, Y, Qi, J, Gao, F.
Deposit date:2020-04-26
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2.
Science, 368, 2020

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