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3L3I
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BU of 3l3i by Molmil
Crystal structure of HLA-B*4402 in complex with the F7A mutant of a self-peptide derived from DPA*0201
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Theodossis, A, Ely, L.K, Rossjohn, J.
Deposit date:2009-12-17
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
2AAD
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BU of 2aad by Molmil
THE ROLE OF HISTIDINE-40 IN RIBONUCLEASE T1 CATALYSIS: THREE-DIMENSIONAL STRUCTURES OF THE PARTIALLY ACTIVE HIS40LYS MUTANT
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME
Authors:Zegers, I, Verhelst, P, Choe, C.W, Steyaert, J, Heinemann, U, Wyns, L, Saenger, W.
Deposit date:1992-09-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
2ACP
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BU of 2acp by Molmil
Crystal structure of nitrophorin 2 aqua complex
Descriptor: Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R.
Deposit date:2005-07-19
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus
To be Published
4S1F
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BU of 4s1f by Molmil
Fructose-6-phosphate aldolase A from E.coli soaked in acetylacetone
Descriptor: Fructose-6-phosphate aldolase 1, pentane-2,4-dione
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
1ZX9
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BU of 1zx9 by Molmil
Crystal Structure of Tn501 MerA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Mercuric reductase
Authors:Dong, A, Ledwidge, R, Patel, B, Fiedler, D, Falkowski, M, Zelikova, J, Summers, A.O, Pai, E.F, Miller, S.M.
Deposit date:2005-06-07
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NmerA, the Metal Binding Domain of Mercuric Ion Reductase, Removes Hg(2+) from Proteins, Delivers It to the Catalytic Core, and Protects Cells under Glutathione-Depleted Conditions
Biochemistry, 44, 2005
4TSZ
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BU of 4tsz by Molmil
Crystal structure of DNA polymerase sliding clamp from Pseudomonas aeruginosa with ligand
Descriptor: ACE-GLN-ALC-ASP-LEU-ZCL peptide, DNA polymerase III subunit beta
Authors:Olieric, V, Burnouf, D, Ennifar, E, Wolff, P.
Deposit date:2014-06-19
Release date:2014-09-10
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
3KW4
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BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
4ROC
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BU of 4roc by Molmil
Human TFIIB-related factor 2 (Brf2) and TBP bound to U6#2 promoter
Descriptor: MAGNESIUM ION, Non-template strand, TATA-box-binding protein, ...
Authors:Vannini, A, Gouge, J, Satia, K, Guthertz, N.
Deposit date:2014-10-28
Release date:2015-12-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2.
Cell(Cambridge,Mass.), 163, 2015
4S04
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BU of 4s04 by Molmil
Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA (25-MER), DNA-binding transcriptional regulator BasR, ...
Authors:Hsiao, C.D, Weng, T.H, Li, Y.C.
Deposit date:2014-12-30
Release date:2015-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA.
Nat Commun, 6, 2015
1Z0M
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BU of 1z0m by Molmil
the glycogen-binding domain of the AMP-activated protein kinase beta1 subunit
Descriptor: 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
Authors:Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W.
Deposit date:2005-03-02
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase.
Structure, 13, 2005
5SUS
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BU of 5sus by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. X-ray diffractometer data set. (ORN)CVF(MEA)CED(ORN)AIIGL(ORN)V.
Descriptor: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL, CHLORIDE ION, SODIUM ION
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2016-08-03
Release date:2017-01-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Stabilization, Assembly, and Toxicity of Trimers Derived from A beta.
J.Am.Chem.Soc., 139, 2017
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
Descriptor: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
Authors:Li, H, Hogan, P.G.
Deposit date:2010-01-28
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
1ZE1
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BU of 1ze1 by Molmil
Conformational Change of Pseudouridine 55 Synthase upon Its Association with RNA Substrate
Descriptor: MAGNESIUM ION, tRNA pseudouridine synthase B
Authors:Phannachet, K, Huang, R.H.
Deposit date:2005-04-16
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformational change of pseudouridine 55 synthase upon its association with RNA substrate
Nucleic Acids Res., 32, 2004
1ZF7
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GAC Duplex B-DNA
Descriptor: 5'-D(*CP*CP*GP*TP*CP*GP*AP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1Z11
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BU of 1z11 by Molmil
Crystal Structure of Human Microsomal P450 2A6 with Methoxsalen Bound
Descriptor: METHOXSALEN, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450, ...
Authors:Yano, J.K, Hsu, M.H, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2005-03-02
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen
Nat.Struct.Mol.Biol., 12, 2005
3LD0
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BU of 3ld0 by Molmil
Crystal structure of B.licheniformis Anti-TRAP protein, an antagonist of TRAP-RNA interactions
Descriptor: Inhibitor of TRAP, regulated by T-BOX (Trp) sequence RtpA, MAGNESIUM ION, ...
Authors:Shevtsov, M.B, Chen, Y, Isupov, M.N, Gollnick, P, Antson, A.A.
Deposit date:2010-01-12
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacillus licheniformis Anti-TRAP can assemble into two types of dodecameric particles with the same symmetry but inverted orientation of trimers.
J.Struct.Biol., 170, 2010
1ZE2
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BU of 1ze2 by Molmil
Conformational change of pseudouridine 55 synthase upon its association with RNA substrate
Descriptor: 5'-R(*GP*GP*CP*CP*AP*CP*GP*GP*UP*(FHU)P*CP*GP*AP*AP*UP*CP*CP*GP*UP*GP*GP*C)-3', tRNA pseudouridine synthase B
Authors:Phannachet, K, Huang, R.H.
Deposit date:2005-04-16
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational change of pseudouridine 55 synthase upon its association with RNA substrate
Nucleic Acids Res., 32, 2004
1ZF1
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CCC A-DNA
Descriptor: 5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3'
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-19
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZI8
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BU of 1zi8 by Molmil
Crystal Structure Analysis of the dienelactone hydrolase mutant(E36D, C123S, A134S, S208G, A229V, K234R)- 1.4 A
Descriptor: Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION
Authors:Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L.
Deposit date:2005-04-27
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
3LKT
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BU of 3lkt by Molmil
Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Lipscomb, J.D, Purpero, V.M.
Deposit date:2010-01-27
Release date:2011-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tyrosine 447 of Protocatechuate 3,4-Dioxygenase Controls Efficient Progress Through Catalysis
To be Published
4JSU
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BU of 4jsu by Molmil
Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
4JSQ
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Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4e
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome
J.Med.Chem., 56, 2013
1ZK7
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Crystal Structure of Tn501 MerA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase, ...
Authors:Dong, A, Ledwidge, R, Patel, B, Fiedler, D, Falkowski, M, Zelikova, J, Summers, A.O, Pai, E.F, Miller, S.M.
Deposit date:2005-05-02
Release date:2005-07-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:NmerA, the Metal Binding Domain of Mercuric Ion Reductase, Removes Hg(2+) from Proteins, Delivers It to the Catalytic Core, and Protects Cells under Glutathione-Depleted Conditions
Biochemistry, 44, 2005
1ZKN
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Structure of PDE4D2-IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ...
Authors:Huai, Q, Liu, Y, Francis, S.H, Corbin, J.D, Ke, H.
Deposit date:2005-05-03
Release date:2005-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Phosphodiesterases 4 and 5 in Complex with Inhibitor 3-Isobutyl-1-Methylxanthine Suggest a Conformation Determinant of Inhibitor Selectivity
J.Biol.Chem., 279, 2004
3LO8
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Crystal Structure of The Oxidized Form of Ferredoxin:NADP+ Reductase From Maize Root at 1.05 Angstroms
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, SODIUM ION
Authors:Faber, H.R, Karplus, P.A.
Deposit date:2010-02-03
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins.
Acta Crystallogr.,Sect.D, 66, 2010

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