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3E79
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BU of 3e79 by Molmil
Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
Deposit date:2008-08-18
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
3FTU
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BU of 3ftu by Molmil
Leukotriene A4 hydrolase in complex with dihydroresveratrol
Descriptor: 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FSI
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BU of 3fsi by Molmil
Crystal structure of a trypanocidal 4,4'-Bis(imidazolinylamino)diphenylamine bound to DNA
Descriptor: 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ACETATE ION, ...
Authors:Glass, L.S, Georgiadis, M.M, Goodwin, K.D.
Deposit date:2009-01-09
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA.
Biochemistry, 48, 2009
3EPF
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CryoEM structure of poliovirus receptor bound to poliovirus type 2
Descriptor: 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE, MYRISTIC ACID, Poliovirus receptor, ...
Authors:Zhang, P, Mueller, S, Morais, M.C, Bator, C.M, Bowman, V.D, Hafenstein, S, Wimmer, E, Rossmann, M.G.
Deposit date:2008-09-29
Release date:2008-11-11
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Crystal structure of CD155 and electron microscopic studies of its complexes with polioviruses.
Proc.Natl.Acad.Sci.USA, 105, 2008
3E9Y
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BU of 3e9y by Molmil
Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron
Descriptor: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
Authors:Guddat, L.W, Duggleby, R.G, Wang, J.-G, Li, Z.-M.
Deposit date:2008-08-24
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase.
Febs J., 276, 2009
3H3C
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BU of 3h3c by Molmil
Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog
Descriptor: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION
Authors:Han, S, Mistry, A.
Deposit date:2009-04-16
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.
Bioorg.Med.Chem.Lett., 19, 2009
3CKT
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BU of 3ckt by Molmil
HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group)
Descriptor: (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, CHLORIDE ION, Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2008-03-17
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
J.Mol.Biol., 410, 2011
3CIC
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BU of 3cic by Molmil
Structure of BACE Bound to SCH709583
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2008-03-11
Release date:2008-06-10
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3GT4
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BU of 3gt4 by Molmil
Structure of proteinase K with the magic triangle I3C
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, SULFATE ION, proteinase K
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
3GT3
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BU of 3gt3 by Molmil
Structure of proteinase K with the mad triangle B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, Proteinase K, SULFATE ION
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
Descriptor: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-12
Release date:2017-11-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
5Y4S
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BU of 5y4s by Molmil
Structure of a methyltransferase complex
Descriptor: Chemotaxis protein methyltransferase 1
Authors:Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G.
Deposit date:2017-08-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.405 Å)
Cite:Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
5YE2
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BU of 5ye2 by Molmil
mammalian endo-lysosomal TRPML1 channel inserting into amphipol
Descriptor: mammalian endo-lysosomal TRPML1 channel
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
Descriptor: SULFATE ION, TNFRSF25 death domain
Authors:Yin, X, Jin, T.
Deposit date:2017-09-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YE1
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BU of 5ye1 by Molmil
structure of endo-lysosomal TRPML1 channel inserting into amphipol: state 2
Descriptor: Mucolipin-1
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
Descriptor: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
Authors:Zhou, A, Zhang, F.
Deposit date:2017-07-05
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
5Y4R
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BU of 5y4r by Molmil
Structure of a methyltransferase complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Chemotaxis protein methyltransferase 1, Cyclic diguanosine monophosphate-binding protein PA4608, ...
Authors:Yan, X, Xin, L, Tan, Y.J, Jin, S, Liang, Z.X, Gao, Y.G.
Deposit date:2017-08-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structural analyses unravel the molecular mechanism of cyclic di-GMP regulation of bacterial chemotaxis via a PilZ adaptor protein.
J. Biol. Chem., 293, 2018
5WUD
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BU of 5wud by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: MAGNESIUM ION, Uncharacterized protein
Authors:Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5YI8
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BU of 5yi8 by Molmil
Crystal structure of drosophila Numb PTB domain and Pon peptide complex
Descriptor: FORMIC ACID, Pon peptide from Partner of numb, Protein numb
Authors:Shan, Z, Wen, W.
Deposit date:2017-10-03
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Basal condensation of Numb and Pon complex via phase transition during Drosophila neuroblast asymmetric division.
Nat Commun, 9, 2018
5YD0
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BU of 5yd0 by Molmil
Crystal structure of Schlafen 13 (SLFN13) N'-domain
Descriptor: Schlafen 8, ZINC ION
Authors:Yang, J.-Y, Gao, S.
Deposit date:2017-09-09
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.182 Å)
Cite:Structure of Schlafen13 reveals a new class of tRNA/rRNA- targeting RNase engaged in translational control
Nat Commun, 9, 2018
5YKF
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BU of 5ykf by Molmil
Structure of pancreatic ATP-sensitive potassium channel bound with glibenclamide and ATPgammaS (3D class1 at 4.33A)
Descriptor: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ...
Authors:Chen, L, Wu, J.X.
Deposit date:2017-10-14
Release date:2018-04-18
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Protein Cell, 9, 2018
5WT1
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BU of 5wt1 by Molmil
Pyrococcus abyssi methyltransferase PaTrm5a bound by SAH and cognate tRNA
Descriptor: RNA (76-MER), S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(37)-N1)-methyltransferase Trm5a
Authors:Xie, W, Wang, C, Jia, Q.
Deposit date:2016-12-09
Release date:2017-12-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Structural insight into the methyltransfer mechanism of the bifunctional Trm5.
Sci Adv, 3, 2017
5WPQ
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BU of 5wpq by Molmil
Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs in closed I conformation at 3.64 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y.
Deposit date:2017-08-07
Release date:2017-10-18
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure of mammalian endolysosomal TRPML1 channel in nanodiscs.
Nature, 550, 2017

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