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7ZYQ
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BU of 7zyq by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, SODIUM ION, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2022-05-25
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
1AW4
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BU of 1aw4 by Molmil
STRUCTURAL BASIS OF DNA FOLDING AND RECOGNITION IN AMP-DNA APTAMER COMPLEX, NMR, 7 STRUCTURES
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-BINDING DNA APTAMER
Authors:Lin, C.H, Patel, D.J.
Deposit date:1997-10-09
Release date:1998-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis of DNA folding and recognition in an AMP-DNA aptamer complex: distinct architectures but common recognition motifs for DNA and RNA aptamers complexed to AMP.
Chem.Biol., 4, 1997
1BDZ
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BU of 1bdz by Molmil
NMR STRUCTURE OF A 14 MER EXTENDED C-MYB COGNATE DNA SEQUENCE 5'D(APCPAPAP CPTPGPCP APGPTPTP GPT)3', MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*AP*CP*AP*AP*CP*TP*GP*CP*AP*GP*TP*TP*GP*T)-3')
Authors:Radha, P.K, Patel, P.K, Hosur, R.V.
Deposit date:1998-05-12
Release date:1998-12-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the extended Myb cognate sequence and modeling studies on specific DNA-Myb complexes.
Biochemistry, 37, 1998
1AX6
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BU of 1ax6 by Molmil
SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES
Descriptor: 2-AMINOFLUORENE, DNA DUPLEX D(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG)
Authors:Mao, B, Gorin, A.A, Gu, Z, Hingerty, B.E, Broyde, S, Patel, D.J.
Deposit date:1997-10-30
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the aminofluorene-intercalated conformer of the syn [AF]-C8-dG adduct opposite a--2 deletion site in the NarI hot spot sequence context.
Biochemistry, 36, 1997
1AXP
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BU of 1axp by Molmil
DNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 6 STRUCTURES
Descriptor: DNA (D(GAAGAGAAGC)(DOT)D(GCTTCTCTTC))
Authors:Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T.
Deposit date:1997-10-17
Release date:1998-04-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Biochemistry, 37, 1998
1AXV
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BU of 1axv by Molmil
SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG)
Authors:Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J.
Deposit date:1997-10-21
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
1BHR
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BU of 1bhr by Molmil
2'-DEOXY-ISOGUANOSINE BASE PAIRED TO THYMIDINE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*CP*IGUP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis.
Biochemistry, 37, 1998
1BAY
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BU of 1bay by Molmil
GLUTATHIONE S-TRANSFERASE YFYF CYS 47-CARBOXYMETHYLATED CLASS PI, FREE ENZYME
Descriptor: GLUTATHIONE S-TRANSFERASE CLASS PI
Authors:Vega, M.C, Coll, M.
Deposit date:1996-11-02
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The three-dimensional structure of Cys-47-modified mouse liver glutathione S-transferase P1-1. Carboxymethylation dramatically decreases the affinity for glutathione and is associated with a loss of electron density in the alphaB-310B region.
J.Biol.Chem., 273, 1998
1BGZ
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BU of 1bgz by Molmil
S8 RRNA BINDING SITE FROM E. COLI, NMR, 6 STRUCTURES
Descriptor: RNA
Authors:Kalurachchi, K, Nikonowicz, E.P.
Deposit date:1998-06-03
Release date:1999-01-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure determination of the binding site for ribosomal protein S8 from Escherichia coli 16 S rRNA.
J.Mol.Biol., 280, 1998
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Descriptor: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
1AT4
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BU of 1at4 by Molmil
INTRAMOLECULAR DNA TRIPLEX CONTAINING A NON-NUCLEOTIDE LINKER (GAGAGA-X-TCTCCT-X-CTCTCT), NMR, 7 STRUCTURES
Descriptor: DNA (5'-D(*GP*AP*GP*AP*GP*AP*DOP*TP*CP*TP*CP*TP*CP*DOP*CP*TP*CP*TP*CP*T)-3')
Authors:Bartley, J.P.
Deposit date:1997-08-18
Release date:1998-02-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution conformation of an intramolecular DNA triplex containing a nonnucleotide linker: comparison with the DNA duplex.
Biochemistry, 36, 1997
6YPK
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BU of 6ypk by Molmil
Crystal Structure of CK2alpha with GTP bound
Descriptor: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
4DWC
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BU of 4dwc by Molmil
Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 in complex with Zn ions
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)-[alpha-D-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A.
Deposit date:2012-02-24
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
6YHK
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BU of 6yhk by Molmil
Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
Descriptor: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
1AOD
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BU of 1aod by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Heinz, D.W, Moser, J.
Deposit date:1997-07-02
Release date:1998-01-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the phosphatidylinositol-specific phospholipase C from the human pathogen Listeria monocytogenes.
J.Mol.Biol., 273, 1997
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
Authors:Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
1AV7
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BU of 1av7 by Molmil
SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-29
Release date:1998-04-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1AQ8
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BU of 1aq8 by Molmil
STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Murphy, M.E.P, Adman, E.T, Turley, S.
Deposit date:1997-08-07
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of nitrite bound to copper-containing nitrite reductase from Alcaligenes faecalis. Mechanistic implications.
J.Biol.Chem., 272, 1997
6JBB
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BU of 6jbb by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with sucrose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-25
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
1AZD
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BU of 1azd by Molmil
CONCANAVALIN FROM CANAVALIA BRASILIENSIS
Descriptor: CALCIUM ION, CONBR, MANGANESE (II) ION
Authors:Sanz-Aparicio, J, Hermoso, J, Grangeiro, T.B, Calvete, J.J, Cavada, B.S.
Deposit date:1997-11-16
Release date:1998-04-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of Canavalia brasiliensis lectin suggests a correlation between its quaternary conformation and its distinct biological properties from Concanavalin A.
FEBS Lett., 405, 1997
1AS8
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BU of 1as8 by Molmil
STRUCTURE OF NITRITE BOUND TO REDUCED ALCALIGENES FAECALIS NITRITE REDUCTASE AT CRYO TEMPERATURE
Descriptor: COPPER (II) ION, NITRITE ION, NITRITE REDUCTASE
Authors:Murphy, M.E.P, Adman, E.T, Turley, S.
Deposit date:1997-08-13
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of nitrite bound to copper-containing nitrite reductase from Alcaligenes faecalis. Mechanistic implications.
J.Biol.Chem., 272, 1997
1AP2
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BU of 1ap2 by Molmil
SINGLE CHAIN FV OF C219
Descriptor: MONOCLONAL ANTIBODY C219
Authors:Hoedemaeker, P.J, Rose, D.R.
Deposit date:1997-07-23
Release date:1997-12-24
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A single chain Fv fragment of P-glycoprotein-specific monoclonal antibody C219. Design, expression, and crystal structure at 2.4 A resolution.
J.Biol.Chem., 272, 1997
6PAC
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BU of 6pac by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
1AUX
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BU of 1aux by Molmil
STRUCTURE OF THE C DOMAIN OF SYNAPSIN IA FROM BOVINE BRAIN WITH CALCIUM ATP-GAMMA-S BOUND
Descriptor: CALCIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SYNAPSIN IA
Authors:Esser, L, Wang, C, Deisenhofer, J.
Deposit date:1997-09-06
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synapsin I is structurally similar to ATP-utilizing enzymes.
EMBO J., 17, 1998
6J9Y
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BU of 6j9y by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with maltose
Descriptor: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020

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