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8IWE
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BU of 8iwe by Molmil
Cryo-EM structure of the SPE-mTAAR9 complex
Descriptor: SPERMIDINE, Trace amine-associated receptor 9
Authors:Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K.
Deposit date:2023-03-29
Release date:2023-05-31
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
3HYF
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BU of 3hyf by Molmil
Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor
Descriptor: 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2009-06-22
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.
J.Med.Chem., 52, 2009
3IPY
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BU of 3ipy by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor
Descriptor: 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase
Authors:Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
Deposit date:2009-08-18
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IPX
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BU of 3ipx by Molmil
X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor
Descriptor: 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ...
Authors:Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G.
Deposit date:2009-08-18
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
Descriptor: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2012-08-05
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4GG7
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BU of 4gg7 by Molmil
Crystal structure of cMET in complex with novel inhibitor
Descriptor: Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2012-08-06
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2HDZ
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BU of 2hdz by Molmil
Crystal Structure Analysis of the UBF HMG box5
Descriptor: Nucleolar transcription factor 1
Authors:Rong, H, Teng, M.K, Niu, L.W.
Deposit date:2006-06-21
Release date:2007-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1
Acta Crystallogr.,Sect.D, 63, 2007
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
2MAW
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BU of 2maw by Molmil
NMR structures of the alpha7 nAChR transmembrane domain.
Descriptor: Neuronal acetylcholine receptor subunit alpha-7
Authors:Bondarenko, V, Mowrey, D, Xu, Y, Tang, P.
Deposit date:2013-07-19
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Insights into distinct modulation of alpha 7 and alpha 7 beta 2 nicotinic acetylcholine receptors by the volatile anesthetic isoflurane.
J.Biol.Chem., 288, 2013
5IFG
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BU of 5ifg by Molmil
Crystal structure of HigA-HigB complex from E. Coli
Descriptor: Antitoxin HigA, mRNA interferase HigB
Authors:Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2016-02-26
Release date:2017-03-01
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
3PJA
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BU of 3pja by Molmil
Crystal structure of human C3PO complex
Descriptor: Translin, Translin-associated protein X
Authors:Huang, N, Zhang, H.
Deposit date:2010-11-09
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
3QIP
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BU of 3qip by Molmil
Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2011-01-27
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0926 Å)
Cite:Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
3QIN
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BU of 3qin by Molmil
Crystal Structure of HIV-1 RNase H p15 with engineered E. coli loop and pyrimidinol carboxylic acid inhibitor
Descriptor: 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, Fusion protein of HIV-1 RNase H p15 with engineered E. coli loop, MANGANESE (II) ION, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2011-01-27
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6967 Å)
Cite:Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
2L5P
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BU of 2l5p by Molmil
Solution NMR structure of protein lipocalin 12 from rat epididymis
Descriptor: Lipocalin 12
Authors:Peng, Y, Lin, D.
Deposit date:2010-11-03
Release date:2011-04-13
Last modified:2011-09-14
Method:SOLUTION NMR
Cite:Solution structure of the protein lipocalin 12 from rat epididymis
Proteins, 79, 2011
7S2R
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BU of 7s2r by Molmil
nanobody bound to IL-2Rg
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C.
Deposit date:2021-09-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
7S2S
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BU of 7s2s by Molmil
nanobody bound to Interleukin-2Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IL2Rb-binding nanobody, Interleukin-2 receptor subunit beta, ...
Authors:Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C.
Deposit date:2021-09-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
7KO2
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BU of 7ko2 by Molmil
Restraining state of near full-length Hsp70 DnaK
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION, ...
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-11-06
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7KRU
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BU of 7kru by Molmil
Stimulating state of a truncated Hsp70 DnaK fused with a substrate peptide
Descriptor: 1,3-PROPANDIOL, ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, ...
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-11-20
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
7KRT
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BU of 7krt by Molmil
Restraining state of a truncated Hsp70 DnaK
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, MAGNESIUM ION
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-11-20
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
7KRV
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BU of 7krv by Molmil
Stimulating state of disulfide-bridged Hsp70 DnaK
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, MAGNESIUM ION, ...
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-11-20
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
7KRW
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BU of 7krw by Molmil
Stimulating state of near full-length Hsp70 DnaK fused with a substrate peptide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide
Authors:Wang, W, Hendrickson, W.A.
Deposit date:2020-11-20
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (7.7 Å)
Cite:Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
5HXW
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BU of 5hxw by Molmil
L-amino acid deaminase from Proteus vulgaris
Descriptor: CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-01-31
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
6OE8
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BU of 6oe8 by Molmil
The crystal structure of hyper-thermostable AgUricase mutant K12C/E286C
Descriptor: MALONATE ION, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Shi, Y, Wang, T, Zhou, X.E, Liu, Q, Jiang, Y, Xu, H.E.
Deposit date:2019-03-27
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-based design of a hyperthermostable AgUricase for hyperuricemia and gout therapy.
Acta Pharmacol.Sin., 40, 2019
5I39
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BU of 5i39 by Molmil
High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-02-10
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016

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