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5OI1
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BU of 5oi1 by Molmil
Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D182A variant in complex with serine and glycerol
Descriptor: GLYCEROL, Hydrolase, SERINE
Authors:Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2017-07-18
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
4W9U
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BU of 4w9u by Molmil
Crystal Structure of an Acyl-CoA dehydrogenase from Brucella melitensis
Descriptor: 1,2-ETHANEDIOL, Acyl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of an Acyl-CoA dehydrogenase from Brucella melitensis
to be published
4ZXI
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BU of 4zxi by Molmil
Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M.
Deposit date:2015-05-20
Release date:2015-12-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
5O9J
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BU of 5o9j by Molmil
Crystal structure of transcription factor IIB Mja mini-intein
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, ...
Authors:Mikula, K.M, Iwai, H, Zhou, D, Wlodawer, A.
Deposit date:2017-06-19
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Persistence of Homing Endonucleases in Transcription Factor IIB Inteins.
J. Mol. Biol., 429, 2017
4ZY8
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BU of 4zy8 by Molmil
K. lactis Lst4 longin domain
Descriptor: Protein LST4
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2015-05-21
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Lst4, the yeast Fnip1/2 orthologue, is a DENN-family protein.
Open Biology, 5, 2015
5O9O
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BU of 5o9o by Molmil
Crystal structure of ScGas2 in complex with compound 7.
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2
Authors:Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5WJ5
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BU of 5wj5 by Molmil
Human TRPML1 channel structure in closed conformation
Descriptor: Mucolipin-1
Authors:Schmiege, P, Li, X.
Deposit date:2017-07-21
Release date:2017-10-18
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Human TRPML1 channel structures in open and closed conformations.
Nature, 550, 2017
2BUG
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BU of 2bug by Molmil
Solution structure of the TPR domain from Protein phosphatase 5 in complex with Hsp90 derived peptide
Descriptor: HSP90, SERINE/THREONINE PROTEIN PHOSPHATASE 5
Authors:Cliff, M.J, Harris, R, Barford, D, Ladbury, J.E, Williams, M.A.
Deposit date:2005-06-13
Release date:2006-03-16
Last modified:2020-01-15
Method:SOLUTION NMR
Cite:Conformational Diversity in the Tpr Domain-Mediated Interaction of Protein Phosphatase 5 with Hsp90.
Structure, 14, 2006
4ZYH
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BU of 4zyh by Molmil
Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase C119L variant
Descriptor: Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015
5A9K
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BU of 5a9k by Molmil
Structural basis for DNA strand separation by a hexameric replicative helicase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, REPLICATION PROTEIN E1
Authors:Chaban, Y, Stead, J.A, Ryzhenkova, K, Whelan, F, Lamber, K, Antson, F, Sanders, C.M, Orlova, E.V.
Deposit date:2015-07-21
Release date:2015-08-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (19 Å)
Cite:Structural Basis for DNA Strand Separation by a Hexameric Replicative Helicase.
Nucleic Acids Res., 43, 2015
6PCT
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BU of 6pct by Molmil
E. coli 50S ribosome bound to compound 41q
Descriptor: (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-18
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
5O9Y
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BU of 5o9y by Molmil
Crystal structure of ScGas2 in complex with compound 11
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5OKP
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BU of 5okp by Molmil
Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D
Descriptor: 1,2-ETHANEDIOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Le Coq, J, Lietha, D.
Deposit date:2017-07-25
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OKT
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BU of 5okt by Molmil
Crystal structure of human Casein Kinase I delta in complex with IWP-2
Descriptor: ACETATE ION, Casein kinase I isoform delta, GLYCEROL, ...
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2017-07-25
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) delta / epsilon.
J. Med. Chem., 61, 2018
5OAB
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BU of 5oab by Molmil
A novel crystal form of human RNase6 at atomic resolution
Descriptor: CHLORIDE ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Prats-Ejarque, G, Moussaoui, M, Boix, E.
Deposit date:2017-06-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
5OLQ
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BU of 5olq by Molmil
Rhamnogalacturonan lyase
Descriptor: CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase
Authors:Basle, A, Luis, A.S, Gilbert, H.J.
Deposit date:2017-07-28
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5ACA
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BU of 5aca by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
Descriptor: VP1, VP2, VP3, ...
Authors:Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
Deposit date:2015-08-14
Release date:2015-09-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
5NTJ
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BU of 5ntj by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-04-28
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
To Be Published
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
4UOX
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BU of 4uox by Molmil
Crystal structure of YgjG in complex with Pyridoxal-5'-phosphate and putrescine
Descriptor: 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2014-06-11
Release date:2014-12-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structure of Putrescine Aminotransferase from Escherichia Coli Provides Insights Into the Substrate Specificity Among Class III Aminotransferases.
Plos One, 9, 2014
4UHH
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BU of 4uhh by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (cacodylate complex)
Descriptor: CACODYLIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
Deposit date:2015-03-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
5WRG
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BU of 5wrg by Molmil
SARS-CoV spike glycoprotein
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W, Xiang, Y, Wang, X.
Deposit date:2016-12-01
Release date:2017-01-11
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017
5NUH
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BU of 5nuh by Molmil
Crystal structure of SIVmac239 Nef bound to an engineered Hck SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
5OB8
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BU of 5ob8 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using NaCl)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
4UIM
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BU of 4uim by Molmil
crystal structure of quinine-dependent Fab 314.3
Descriptor: FAB 314.3, SULFATE ION
Authors:Zhu, J, Zhu, J, Bougie, D.W, Aster, R.H, Springer, T.A.
Deposit date:2015-03-30
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Quinine-Dependent Antibody Binding to Platelet Integrin Alphaiib Beta3
Blood, 126, 2015

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数据于2024-09-25公开中

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