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3THE
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BU of 3the by Molmil
Crystal structure of Co2+2-HAI (pH 8.5)
Descriptor: Arginase-1, BICINE, COBALT (II) ION
Authors:D'Antonio, E.L, Christianson, D.W.
Deposit date:2011-08-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
6LXQ
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BU of 6lxq by Molmil
TvCyP2 in apo form 3
Descriptor: GLYCEROL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase
Authors:Aryal, S, Chen, C, Hsu, C.H.
Deposit date:2020-02-11
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization.
Biomolecules, 10, 2020
3SRB
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BU of 3srb by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to SMER28
Descriptor: 1,2-ETHANEDIOL, 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine, Acyl-homoserine lactone acylase pvdQ, ...
Authors:Gulick, A.M, Drake, E.J.
Deposit date:2011-07-07
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
3APO
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BU of 3apo by Molmil
Crystal structure of full-length ERdj5
Descriptor: DnaJ homolog subfamily C member 10
Authors:Inaba, K, Suzuki, M, Nagata, K.
Deposit date:2010-10-20
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of an ERAD pathway mediated by the ER-resident protein disulfide reductase ERdj5.
Mol.Cell, 41, 2011
5OJY
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BU of 5ojy by Molmil
Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger
Descriptor: CITRIC ACID, GLYCEROL, Pamamycin 607, ...
Authors:Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
6BTZ
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BU of 6btz by Molmil
Crystal structure of the PI3KC2alpha C2 domain in space group C121
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ...
Authors:Chen, K.-E, Collins, B.M.
Deposit date:2017-12-08
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha.
Structure, 26, 2018
3TEM
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BU of 3tem by Molmil
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 6a1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-08-15
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones.
J.Med.Chem., 54, 2011
3C3N
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BU of 3c3n by Molmil
Crystal structure of dihydroorotate dehydrogenase from Trypanosoma cruzi strain Y
Descriptor: Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Pinheiro, M.P, Iulek, J, Nonato, M.C.
Deposit date:2008-01-28
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase from Y strain
Biochem.Biophys.Res.Commun., 369, 2008
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3C61
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BU of 3c61 by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania donovani
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, AZIDE ION, CHLORIDE ION, ...
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-02-01
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dihydroorotate dehydrogenase from Leishmania donovani.
To be Published
6BFQ
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BU of 6bfq by Molmil
The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies
Descriptor: Fab Heavy chain, Fab Light Chain, Granulocyte-macrophage colony-stimulating factor
Authors:Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
Deposit date:2017-10-26
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
1PQS
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BU of 1pqs by Molmil
Solution structure of the C-terminal OPCA domain of yCdc24p
Descriptor: Cell division control protein 24
Authors:Leitner, D, Wahl, M, Labudde, D, Diehl, A, Schmieder, P, Pires, J.R, Fossi, M, Leidert, M, Krause, G, Oschkinat, H.
Deposit date:2003-06-19
Release date:2003-07-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different beta-sheet topology.
Febs Lett., 579, 2005
1Q5A
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BU of 1q5a by Molmil
S-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
3T8J
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BU of 3t8j by Molmil
Structural analysis of thermostable S. solfataricus pyrimidine-specific nucleoside hydrolase
Descriptor: Purine nucleosidase, (IunH-1), SODIUM ION
Authors:Minici, C, Cacciapuoti, G, De Leo, E, Porcelli, M, Degano, M.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Determinants in the Catalytic Mechanism of Nucleoside Hydrolases from the Structures of Two Isozymes from Sulfolobus solfataricus.
Biochemistry, 51, 2012
5PZN
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BU of 5pzn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(TERT-BUTYLCARBAMOYL)PHENYL]-2-(4-FLUOROPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZO
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BU of 5pzo by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
3BLX
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BU of 3blx by Molmil
Yeast Isocitrate Dehydrogenase (Apo Form)
Descriptor: Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2
Authors:Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L.
Deposit date:2007-12-11
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
3T7C
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BU of 3t7c by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to NAD
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-29
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3T8L
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BU of 3t8l by Molmil
Crystal Structure of adenine deaminase with Mn/Fe
Descriptor: Adenine deaminase 2, UNKNOWN ATOM OR ION
Authors:Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-08-01
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The catalase activity of diiron adenine deaminase.
Protein Sci., 20, 2011
3TA8
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BU of 3ta8 by Molmil
Crystal structure HP-NAP from strain YS39 iron loaded (cocrystallization 5mM)
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Neutrophil-activating protein
Authors:Tsuruta, O, Yokoyama, H, Fujii, S.
Deposit date:2011-08-03
Release date:2012-02-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP)
Acta Crystallogr.,Sect.F, 68, 2012
7R70
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BU of 7r70 by Molmil
Crystal Structure of the UbArk2C fusion protein
Descriptor: GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION
Authors:Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
Deposit date:2021-06-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
Descriptor: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
7R71
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BU of 7r71 by Molmil
Crystal Structure of the UbArk2C-UbcH5b~Ub complex
Descriptor: Ubiquitin, Ubiquitin,E3 ubiquitin-protein ligase RNF165, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
Deposit date:2021-06-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
6RCB
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BU of 6rcb by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14
Descriptor: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, Casein kinase II subunit alpha, SULFATE ION
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2019-04-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
3C7W
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BU of 3c7w by Molmil
Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
Authors:Mooers, B.H.M.
Deposit date:2008-02-08
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009

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