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3CH6
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BU of 3ch6 by Molmil
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Descriptor: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2008-03-07
Release date:2008-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
6W2T
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BU of 6w2t by Molmil
Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2)
Descriptor: 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ...
Authors:Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S.
Deposit date:2020-03-08
Release date:2020-04-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
2BUR
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BU of 2bur by Molmil
Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 in Complex with 4-hydroxybenzoate
Descriptor: FE (III) ION, P-HYDROXYBENZOIC ACID, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
Authors:Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:2005-06-17
Release date:2006-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
6WBQ
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BU of 6wbq by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A
Descriptor: 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-03-27
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
3I02
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BU of 3i02 by Molmil
Crystal structure of S54-10 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain, Immunoglobulin light chain
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
8STL
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BU of 8stl by Molmil
Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha
Descriptor: Nanobody PIK3_Nb16, SULFATE ION
Authors:Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S.
Deposit date:2023-05-10
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of isoform specific nanobodies for Class I PI3Ks
To be published
6W9C
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BU of 6w9c by Molmil
The crystal structure of papain-like protease of SARS CoV-2
Descriptor: CHLORIDE ION, Non-structural protein 3, ZINC ION
Authors:Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-22
Release date:2020-04-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of papain-like protease of SARS CoV-2
to be published
8SQ7
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BU of 8sq7 by Molmil
X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem
Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ...
Authors:Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z.
Deposit date:2023-05-04
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
3HMY
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BU of 3hmy by Molmil
Crystal structure of HCR/T complexed with GT2
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, ...
Authors:Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R.
Deposit date:2009-05-29
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Gangliosides as high affinity receptors for tetanus neurotoxin.
J.Biol.Chem., 284, 2009
8TCE
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BU of 8tce by Molmil
Lipoprotein(a) Kringle IV domain 8 - Lp(a) KIV8 in complex with LY3353871
Descriptor: (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid, Apolipoprotein(a)
Authors:Hendle, J, Weichert, K, Sauder, J.M.
Deposit date:2023-06-30
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery of potent small-molecule inhibitors of lipoprotein(a) formation.
Nature, 629, 2024
2BTC
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BU of 2btc by Molmil
BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)
Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
Authors:Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
Deposit date:1998-12-11
Release date:2000-01-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
3N4Z
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BU of 3n4z by Molmil
Crystal structure of quintuple Arg-to-Lys variant of T. celer L30e
Descriptor: 50S ribosomal protein L30e
Authors:Chan, C.H, Wong, K.B.
Deposit date:2010-05-24
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3973 Å)
Cite:Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values
Plos One, 7, 2012
3HR4
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BU of 3hr4 by Molmil
Human iNOS Reductase and Calmodulin Complex
Descriptor: CALCIUM ION, Calmodulin, FLAVIN MONONUCLEOTIDE, ...
Authors:Xia, C, Misra, I, Iyanaki, T, Kim, J.J.K.
Deposit date:2009-06-08
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of Interdomain Interactions by CaM in Inducible Nitric Oxide Synthase
J.Biol.Chem., 2009
4HJR
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BU of 4hjr by Molmil
Crystal structure of F2YRS
Descriptor: Tyrosine-tRNA ligase
Authors:Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
Deposit date:2012-10-13
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
8T8A
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BU of 8t8a by Molmil
Structure of arginine oxidase from Pseudomonas sp. TRU 7192
Descriptor: Amine oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Takahashi, K, Yamaguchi, H, Tatsumi, M, Sugiki, M.
Deposit date:2023-06-22
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of arginine oxidase from Pseudomonas sp. TRU 7192
To Be Published
8T7C
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BU of 8t7c by Molmil
Crystal structure of human phospholipase C gamma 2
Descriptor: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION
Authors:Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J.
Deposit date:2023-06-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
6VVA
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BU of 6vva by Molmil
N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA USA300)
Descriptor: CHLORIDE ION, CITRIC ACID, N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Renwick, R.C.J, Currie, M.J.
Deposit date:2020-02-17
Release date:2021-02-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:N-acetylmannosamine-6-phosphate 2-epimerase uses a novel substrate-assisted mechanism to catalyze amino sugar epimerization.
J.Biol.Chem., 297, 2021
8T7Y
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BU of 8t7y by Molmil
Structure of SARS CoV-2 main protease in complex with Chymostatin.
Descriptor: 3C-like proteinase nsp5, Chymostatin A (bound form)
Authors:Terzyan, S, Yarla, N, Rao, C.V, Mooers, B.
Deposit date:2023-06-21
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of SARS CoV-2 main protease in complex with Chymostatin.
to be published
6VXU
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BU of 6vxu by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
Descriptor: (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, ...
Authors:dos Reis, C.V, Dutra, L.A, Gama, F.H, Mascarello, A, Azevedo, H, Guimaraes, C.R, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-24
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
To Be Published
4HKW
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BU of 4hkw by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ...
Authors:Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
8T8S
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BU of 8t8s by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
8T8R
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BU of 8t8r by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
6W6B
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BU of 6w6b by Molmil
The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution
Descriptor: SULFATE ION, SaFakA-Cterminus domain
Authors:Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
Deposit date:2020-03-16
Release date:2021-03-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution
To Be Published
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
Authors:Wright, K.M, Gabelli, S.B.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
3NFE
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BU of 3nfe by Molmil
The crystal structure of hemoglobin I from trematomus newnesi in deoxygenated state
Descriptor: Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L.
Deposit date:2010-06-10
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010

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