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3HAR
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BU of 3har by Molmil
Crystal structure of bacteriorhodopsin mutant I148V crystallized from bicelles
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, RETINAL
Authors:Joh, N.H, Yang, D, Bowie, J.U.
Deposit date:2009-05-02
Release date:2009-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
8CAF
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BU of 8caf by Molmil
N8C_Fab3b in complex with NEDD8-CUL1(WHB)
Descriptor: Cullin-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A.
Deposit date:2023-01-24
Release date:2023-09-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Activity-based profiling of cullin-RING E3 networks by conformation-specific probes.
Nat.Chem.Biol., 19, 2023
1R4L
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BU of 1r4l by Molmil
Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
Descriptor: (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1R42
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BU of 1r42 by Molmil
Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ...
Authors:Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
8ILR
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BU of 8ilr by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 16
Descriptor: N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2023-03-04
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ILV
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BU of 8ilv by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 18
Descriptor: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2023-03-04
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ILS
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BU of 8ils by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 17
Descriptor: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2023-03-04
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
5HZH
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BU of 5hzh by Molmil
Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZI
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BU of 5hzi by Molmil
Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZJ
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BU of 5hzj by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain
Descriptor: FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZK
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BU of 5hzk by Molmil
Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42
Descriptor: Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
1XAV
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BU of 1xav by Molmil
Major G-quadruplex structure formed in human c-MYC promoter, a monomeric parallel-stranded quadruplex
Descriptor: 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', POTASSIUM ION
Authors:Ambrus, A, Chen, D, Dai, J, Jones, R.A, Yang, D.
Deposit date:2004-08-26
Release date:2005-02-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the biologically relevant G-Quadruplex element in the human c-MYC promoter. Implications for G-quadruplex stabilization.
Biochemistry, 44, 2005
6NLE
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BU of 6nle by Molmil
X-ray structure of LeuT with V269 deletion
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Navratna, V, Yang, D, Gouaux, E.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.615 Å)
Cite:Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion inSLC6A3.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V54
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BU of 5v54 by Molmil
Crystal structure of 5-HT1B receptor in complex with methiothepin
Descriptor: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B
Authors:Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y.
Deposit date:2017-03-13
Release date:2018-02-07
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
4ZOG
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BU of 4zog by Molmil
VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-METHOXYETHANOL, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ...
Authors:Kyomuhendo, P, Narayanan, D, Engh, R.A.
Deposit date:2015-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
To Be Published
6LMR
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BU of 6lmr by Molmil
Solution structure of cold shock domain and ssDNA complex
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1
Authors:Fan, J, Yang, D.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
2LUT
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BU of 2lut by Molmil
NMR solution structure of midkine-a
Descriptor: Midkine-related growth factor
Authors:Lim, J, Yang, D, Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of Two Zebrafish Midkine Proteins Reveals Importance of the Conserved Hinge for Heparin Binding and Embryogenesis
To be Published
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
1X95
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BU of 1x95 by Molmil
Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
Descriptor: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3'
Authors:Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D.
Deposit date:2004-08-19
Release date:2004-09-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug.
J.Biol.Chem., 279, 2004
5YQZ
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BU of 5yqz by Molmil
Structure of the glucagon receptor in complex with a glucagon analogue
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ...
Authors:Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
2PY1
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BU of 2py1 by Molmil
Solution structure of human liver fatty acid binding protein
Descriptor: Fatty acid-binding protein, liver
Authors:Long, D, Yang, D.
Deposit date:2007-05-15
Release date:2007-06-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid data collection for protein structure determination by NMR spectroscopy.
J.Am.Chem.Soc., 129, 2007
3C90
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BU of 3c90 by Molmil
The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II
Descriptor: Phosphoribosyl-ATP pyrophosphatase
Authors:Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-02-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
2HY9
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BU of 2hy9 by Molmil
Human telomere DNA quadruplex structure in K+ solution hybrid-1 form
Descriptor: DNA (26-MER)
Authors:Dai, J, Punchihewa, C, Jones, R.A, Hurley, L, Yang, D.
Deposit date:2006-08-04
Release date:2007-04-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation.
Nucleic Acids Res., 35, 2007
5H3N
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BU of 5h3n by Molmil
Solution structure of human Gelsolin protein domain 1 at pH 7.3
Descriptor: Gelsolin
Authors:Fan, J.S, Yang, D.
Deposit date:2016-10-26
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1.
Sci Rep, 7, 2017

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