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5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
Authors:Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
5UZ0
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BU of 5uz0 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ...
Authors:Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J.
Deposit date:2017-02-24
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
8AOU
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BU of 8aou by Molmil
Solution NMR structure of full-length Nsp1 from SARS-CoV-2.
Descriptor: Host translation inhibitor nsp1
Authors:Wang, Y, Kirkpatrick, J.P, Carlomagno, T.
Deposit date:2022-08-08
Release date:2022-12-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-2.
Structure, 31, 2023
5SXT
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BU of 5sxt by Molmil
Crystal structure of the S324T variant of Burkholderia pseudomallei KatG with isonicotinic acid hydrazide bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
6W02
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BU of 6w02 by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
7EGL
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BU of 7egl by Molmil
Bicarbonate transporter complex SbtA-SbtB bound to HCO3-
Descriptor: BICARBONATE ION, Membrane-associated protein SbtB, SODIUM ION, ...
Authors:Fang, S, Huang, X, Zhang, X, Zhang, P.
Deposit date:2021-03-24
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular mechanism underlying transport and allosteric inhibition of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 118, 2021
5VM8
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BU of 5vm8 by Molmil
Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
Descriptor: Ribosomal RNA small subunit methyltransferase E, S-ADENOSYLMETHIONINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-26
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
To Be Published
7MPI
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BU of 7mpi by Molmil
Stm1 bound vacant 80S structure isolated from cbf5-D95A
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-05-04
Release date:2022-05-11
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
6QTC
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BU of 6qtc by Molmil
tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD
Descriptor: Tyrosine phosphorylated CTD, tSH2 domain of transcription elongation factor Spt6
Authors:Brazda, P, Krejcikova, M, Smirakova, E, Kubicek, K, Stefl, R.
Deposit date:2019-02-24
Release date:2020-07-15
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD
To Be Published
8TPY
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BU of 8tpy by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Authors:Guddat, L.W.
Deposit date:2023-08-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPV
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BU of 8tpv by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2023-08-05
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8Q1Y
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BU of 8q1y by Molmil
Outward-facing, open2 proteoliposome complex I at 2.6 A, after deactivation treatment. Initially purified in LMNG.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-08-01
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q1P
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BU of 8q1p by Molmil
Inward-facing, open2 proteoliposome complex I at 2.9 A, after deactivation treatment. Initially purified in LMNG.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-08-01
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q1U
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BU of 8q1u by Molmil
Inward-facing, open1 proteoliposome complex I at 3.3 A, after deactivation treatment. Initially purified in LMNG.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-08-01
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q25
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BU of 8q25 by Molmil
Outward-facing, open1 proteoliposome complex I at 2.8 A, after deactivation treatment. Initially purified in LMNG.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-08-01
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8TY6
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BU of 8ty6 by Molmil
Disulfide-stabilized HIV-1 CA hexamer in complex with PQBP1 Nt
Descriptor: Capsid protein p24
Authors:Piacentini, J, Pornillos, O, Ganser-Pornillos, B.K.
Deposit date:2023-08-24
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular Determinants of PQBP1 Binding to the HIV-1 Capsid Lattice.
J.Mol.Biol., 436, 2024
7UL6
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BU of 7ul6 by Molmil
CryoEM structure of full-length dimeric ClbP
Descriptor: Beta-lactamase
Authors:Velilla, J.A, Walsh Jr, R.M, Gaudet, R.
Deposit date:2022-04-04
Release date:2022-09-28
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
6GZK
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BU of 6gzk by Molmil
Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA
Descriptor: 5-carboxy methylrhodamine, TMR3 (48-MER)
Authors:Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J.
Deposit date:2018-07-04
Release date:2019-07-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine.
Nucleic Acids Res., 48, 2020
4U4F
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BU of 4u4f by Molmil
Structure of GluA2* in complex with partial agonist (S)-5-Nitrowillardiine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, ...
Authors:Yelshanskaya, M.V, Li, M, Sobolevsky, A.I.
Deposit date:2014-07-23
Release date:2014-08-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.79 Å)
Cite:Structure of an agonist-bound ionotropic glutamate receptor.
Science, 345, 2014
5KWO
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BU of 5kwo by Molmil
NMR Solution Structure of Designed Peptide NC_EHE_D1
Descriptor: Designed peptide NC_EHE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-18
Release date:2016-09-21
Last modified:2016-11-02
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
8BDA
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BU of 8bda by Molmil
IFTA complex in anterograde intraflagellar transport trains (Chlamydomonas reinhardtii)
Descriptor: Intraflagellar transport particle protein 140, Intraflagellar transport protein 121, Intraflagellar transport protein 122 homolog, ...
Authors:Lacey, S.E, Foster, H.E, Pigino, G.
Deposit date:2022-10-18
Release date:2023-01-11
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (20.700001 Å)
Cite:The molecular structure of IFT-A and IFT-B in anterograde intraflagellar transport trains.
Nat.Struct.Mol.Biol., 30, 2023
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6X9O
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BU of 6x9o by Molmil
High resolution cryoEM structure of huntingtin in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Lea, S.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.
Commun Biol, 4, 2021
8H2X
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BU of 8h2x by Molmil
Structure of Acb2
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, p26
Authors:Feng, Y, Cao, X.L.
Deposit date:2022-10-07
Release date:2023-02-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
Descriptor: Designed peptide NC_cHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016

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PDB entries from 2024-09-04

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