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1YRG
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BU of 1yrg by Molmil
THE CRYSTAL STRUCTURE OF RNA1P: A NEW FOLD FOR A GTPASE-ACTIVATING PROTEIN
Descriptor: GTPASE-ACTIVATING PROTEIN RNA1_SCHPO
Authors:Hillig, R.C, Renault, L, Vetter, I.R, Drell, T, Wittinghofer, A, Becker, J.
Deposit date:1999-03-29
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:The crystal structure of rna1p: a new fold for a GTPase-activating protein.
Mol.Cell, 3, 1999
2A31
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BU of 2a31 by Molmil
Trypsin in complex with borate
Descriptor: BORATE ION, CALCIUM ION, GUANIDINE-3-PROPANOL, ...
Authors:Transue, T.R, Gabel, S.A, London, R.E.
Deposit date:2005-06-23
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
2A32
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BU of 2a32 by Molmil
Trypsin in complex with benzene boronic acid
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ...
Authors:Transue, T.R, Gabel, S.A, London, R.E.
Deposit date:2005-06-23
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
2LKQ
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BU of 2lkq by Molmil
NMR structure of the lambda 5 22-45 peptide
Descriptor: Immunoglobulin lambda-like polypeptide 1
Authors:Elantak, L, Espeli, M, Boned, A, Bornet, O, Breton, C, Feracci, M, Roche, P, Guerlesquin, F, Schiff, C.
Deposit date:2011-10-19
Release date:2012-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Galectin-1-dependent Pre-B Cell Receptor (Pre-BCR) Activation.
J.Biol.Chem., 287, 2012
8SEM
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BU of 8sem by Molmil
Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni
Descriptor: TRPV1 inhibitory peptide Tst2
Authors:Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-10
Release date:2023-09-27
Method:SOLUTION NMR
Cite:Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
2L7C
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BU of 2l7c by Molmil
Biophysical studies of lipid interacting regions of DGD2 in Arabidopsis thaliana
Descriptor: Digalactosyldiacylglycerol synthase 2, chloroplastic
Authors:Szpryngiel, S, Ge, C, Iakovleva, I, Lind, J, Wieslander, A, Maler, L.
Deposit date:2010-12-07
Release date:2011-10-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Lipid interacting regions in phosphate stress glycosyltransferase atDGD2 from Arabidopsis thaliana.
Biochemistry, 50, 2011
2AV4
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BU of 2av4 by Molmil
Crystal structure of Plasmodium yoelii thioredoxin-like protein 4A (DIM1)
Descriptor: CHLORIDE ION, Thioredoxin-like protein 4A (DIM1)
Authors:Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC)
Deposit date:2005-08-29
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2AU9
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BU of 2au9 by Molmil
Inorganic pyrophosphatase complexed with substrate
Descriptor: CHLORIDE ION, FLUORIDE ION, Inorganic pyrophosphatase, ...
Authors:Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
Deposit date:2005-08-27
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZLO
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BU of 4zlo by Molmil
Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1
Descriptor: 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1
Authors:Bellamacina, C.R, Bussiere, D.E.
Deposit date:2015-05-01
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
2AN6
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BU of 2an6 by Molmil
Protein-peptide complex
Descriptor: Ubiquitin ligase SIAH1A, ZINC ION, peptide from Phyllopod
Authors:House, C.M, Hancock, N.C, Moller, A, Cromer, B.A, Fedorov, V, Bowtell, D.D.L, Parker, M.W, Polekhina, G.
Deposit date:2005-08-11
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Elucidation of the substrate binding site of Siah ubiquitin ligase
Structure, 14, 2006
8T1T
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BU of 8t1t by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM)
Descriptor: Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ...
Authors:Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
Deposit date:2023-06-03
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
2AU6
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BU of 2au6 by Molmil
Crystal structure of catalytic intermediate of inorganic pyrophosphatase
Descriptor: CHLORIDE ION, FLUORIDE ION, Inorganic pyrophosphatase, ...
Authors:Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
Deposit date:2005-08-27
Release date:2006-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
8SKJ
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BU of 8skj by Molmil
Crystal structure of a Nanobody bound to the V5 peptide.
Descriptor: NbA1, V5 Epitope Tag Peptide
Authors:Zaghal, M, Matte, K, Venes, A, Patel, S, Laroche, G, Sarvan, S, Joshi, M, Couture, J.F, Giguere, P.M.
Deposit date:2023-04-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of a V5-tag-directed nanobody and its implementation as an intracellular biosensor of GPCR signaling.
J.Biol.Chem., 299, 2023
8T1S
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BU of 8t1s by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAH)
Descriptor: Alpha-N-methyltransferase, Extradiol ring-cleavage dioxygenase LigAB LigA subunit domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
Deposit date:2023-06-03
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
Descriptor: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
Authors:Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
Deposit date:2023-05-16
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
2B3T
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BU of 2b3t by Molmil
Structure of complex between E. coli translation termination factor RF1 and the PrmC methyltransferase
Descriptor: Peptide chain release factor 1, Protein methyltransferase hemK, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Graille, M, Heurgue-Hamard, V, Champ, S, Mora, L, Scrima, N, Ulryck, N, van Tilbeurgh, H, Buckingham, R.H.
Deposit date:2005-09-21
Release date:2006-01-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular basis for bacterial class I release factor methylation by PrmC
Mol.Cell, 20, 2005
2AHB
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BU of 2ahb by Molmil
X-ray crystal structure of R46A,R161A mutant of Mycobacterium tuberculosis FabH
Descriptor: Beta- ketoacyl-ACP synthase III
Authors:Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S.
Deposit date:2005-07-27
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Mechanism of the Mycobacterium tuberculosis {beta}-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: FACTORS INFLUENCING CATALYSIS AND SUBSTRATE SPECIFICITY
J.Biol.Chem., 280, 2005
2M8J
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BU of 2m8j by Molmil
Structure of Pin1 WW domain phospho-mimic S16E
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Luh, L.M, Kirchner, D.K, Loehr, F, Haensel, R, Doetsch, V.
Deposit date:2013-05-22
Release date:2014-04-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition.
J.Am.Chem.Soc., 135, 2013
8SF8
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BU of 8sf8 by Molmil
Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide
Descriptor: N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R.
Deposit date:2023-04-10
Release date:2024-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase.
J.Med.Chem., 67, 2024
2M0X
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BU of 2m0x by Molmil
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
Descriptor: engineered ubiquitin variant
Authors:Phillips, A.H, Fairbrother, W.J, Corn, J.E.
Deposit date:2012-11-08
Release date:2013-06-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
2AU8
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BU of 2au8 by Molmil
Catalytic intermediate structure of inorganic pyrophosphatase
Descriptor: CHLORIDE ION, Inorganic pyrophosphatase, MANGANESE (II) ION, ...
Authors:Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
Deposit date:2005-08-27
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
2AJ9
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BU of 2aj9 by Molmil
X-ray crystal structure of W42A,R161A double mutant of Mycobacterium tuberculosis beta-ketoacyl-ACP synthase III
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase III
Authors:Brown, A.K, Sridharan, S, Kremer, L, Lindenberg, S, Dover, L.G, Sacchettini, J.C, Besra, G.S.
Deposit date:2005-08-01
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Mechanism of the Mycobacterium tuberculosis beta-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: Factors Influencing Catalysis And Substrate Specificity.
J.Biol.Chem., 280, 2005
8SV9
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BU of 8sv9 by Molmil
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
Descriptor: (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-05-15
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
2AYP
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BU of 2ayp by Molmil
Crystal Structure of CHK1 with an Indol Inhibitor
Descriptor: (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE, Serine/threonine-protein kinase Chk1
Authors:Lin, N.-H, Xia, P, Kovar, P, Chen, Z, Zhang, H, Rosenberg, S.H, Sham, H.L.
Deposit date:2005-09-07
Release date:2006-09-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors
Bioorg.Med.Chem.Lett., 16, 2006

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