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7RLW
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BU of 7rlw by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRAAGQPAGDRAAGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, PvCSPvk210 peptide from Circumsporozoite protein
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8TGB
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BU of 8tgb by Molmil
Crystal structure of root lateral formation protein (RLF) b5-domain from Oryza sativa
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, root lateral formation protein (RLF)
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Benson, D.R.
Deposit date:2023-07-12
Release date:2023-12-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The N-terminal intrinsically disordered region of Ncb5or docks with the cytochrome b 5 core to form a helical motif that is of ancient origin.
Proteins, 92, 2024
8AWI
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BU of 8awi by Molmil
Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
Descriptor: SODIUM ION, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2022-08-29
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
8AX0
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BU of 8ax0 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with sodium nitroprusside
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
7RLX
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BU of 7rlx by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRAAGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, peptide from Circumsporozoite protein variant VK210
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
6PUJ
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BU of 6puj by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U
Descriptor: 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
8TJJ
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BU of 8tjj by Molmil
SAM-dependent methyltransferase RedM bound to SAM
Descriptor: 1,2-ETHANEDIOL, POTASSIUM ION, RedM, ...
Authors:Daniel-Ivad, P, Ryan, K.S.
Deposit date:2023-07-22
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
6D30
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BU of 6d30 by Molmil
Structure of human Usb1 with uridine-uridine, inactive H208Q mutant
Descriptor: CHLORIDE ION, RNA (5'-R(UP*U)-3'), U6 snRNA phosphodiesterase
Authors:Nomura, Y, Montemayor, E.J, Butcher, S.E.
Deposit date:2018-04-14
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
Nucleic Acids Res., 46, 2018
7RLV
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BU of 7rlv by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide GDRADGQPAGDRADGQPA
Descriptor: 1,2-ETHANEDIOL, 2F2 Fab heavy chain, 2F2 Fab light chain, ...
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8AX1
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BU of 8ax1 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with hydroxy-tetranitro-nitrosyl-ruthenate
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
8TJK
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BU of 8tjk by Molmil
SAM-dependent methyltransferase RedM bound to SAH
Descriptor: CHLORIDE ION, RedM, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Daniel-Ivad, P, Ryan, K.S.
Deposit date:2023-07-22
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
6FHU
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BU of 6fhu by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide
Descriptor: ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6D0Z
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BU of 6d0z by Molmil
Polymerase Eta cytarabine (AraC) extension ternary complex
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*GP*CP*AP*GP*TP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2018-04-11
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for polymerase eta-promoted resistance to the anticancer nucleoside analog cytarabine.
Sci Rep, 8, 2018
7RLY
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BU of 7rly by Molmil
Antibody 2F2 in complex with P. vivax CSP peptide DRAAGQPAGDRADGQPA
Descriptor: 2F2 Fab heavy chain, 2F2 Fab light chain, peptide from Circumsporozoite protein variant VK210
Authors:Kucharska, I, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
7RM0
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BU of 7rm0 by Molmil
Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPG
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, peptide from Circumsporozoite protein variant VK247
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
6PXN
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BU of 6pxn by Molmil
Human Casein Kinase 1 delta Tau mutant (R178C)
Descriptor: Casein kinase I isoform delta, SULFATE ION
Authors:Philpott, J.M, Tripathi, S.M, Partch, C.L.
Deposit date:2019-07-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
8TUC
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BU of 8tuc by Molmil
Unphosphorylated CaMKK2 in complex with CC-8977
Descriptor: (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Bernard, S.M, Shanmugasundaram, V, D'Agostino, L.
Deposit date:2023-08-16
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
7RM3
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BU of 7rm3 by Molmil
Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ...
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
6PYI
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BU of 6pyi by Molmil
Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA
Descriptor: ALANINE, Putative methyl-accepting chemotaxis protein
Authors:Ud-Din, I.A, Khan, M.F, Roujeinikova, A.
Deposit date:2019-07-29
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
6XFJ
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BU of 6xfj by Molmil
Crystal structure of the type III secretion pilotin InvH
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J.
Deposit date:2020-06-15
Release date:2020-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
6D1R
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BU of 6d1r by Molmil
Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2018-04-12
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6FET
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BU of 6fet by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439
Descriptor: 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-01-03
Release date:2019-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:hPDE4D2 structure with inhibitor NPD-1439
To be published
8AUH
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BU of 8auh by Molmil
Xenobiotic reductase A Y27F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023

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PDB entries from 2024-08-28

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