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8FXJ
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BU of 8fxj by Molmil
Crystal structure of Fab460
Descriptor: ACETATE ION, CHLORIDE ION, Fab460, ...
Authors:Tan, K, Kim, M, Reinherz, E.L.
Deposit date:2023-01-24
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FZ2
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BU of 8fz2 by Molmil
Crystal structure of Fab460 in complex with MPER peptide
Descriptor: Fab460, H chain, L chain, ...
Authors:Tan, K, Kim, M, Reinherz, E.L.
Deposit date:2023-01-27
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
8FK2
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BU of 8fk2 by Molmil
The N-terminal VicR from Streptococcus mutans
Descriptor: Putative response regulator CovR VicR-like protein
Authors:Zhang, H, Wu, H.
Deposit date:2022-12-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Small Molecule Attenuates Bacterial Virulence by Targeting Conserved Response Regulator.
Mbio, 14, 2023
8F7Z
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BU of 8f7z by Molmil
VRC34.01_mm28 bound to fusion peptide
Descriptor: HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2022-11-21
Release date:2023-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8FFO
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BU of 8ffo by Molmil
Cryo-EM structure of wildtype rabbit TRPV5 with PI(4,5)P2 in nanodiscs
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ...
Authors:De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y.
Deposit date:2022-12-09
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
8FHH
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BU of 8fhh by Molmil
Wildtype rabbit TRPV5 in nanodiscs in the presence of oleoyl coenzyme A, Closed stated
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5
Authors:De Jesus-Perez, J.J, Moiseenkova-Bell, V.Y.
Deposit date:2022-12-14
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis of the activation of TRPV5 channels by long-chain acyl-Coenzyme-A.
Nat Commun, 14, 2023
8FTS
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BU of 8fts by Molmil
SgvM methyltransferase with SAH and alpha-ketoleucine
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Kuzelka, K, Nair, S.K.
Deposit date:2023-01-13
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases
Nat Commun, 14, 2023
6G2R
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BU of 6g2r by Molmil
Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ...
Authors:Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B.
Deposit date:2018-03-23
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
4NRV
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BU of 4nrv by Molmil
Crystal Structure of non-edited human NEIL1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endonuclease 8-like 1
Authors:Prakash, A, Doublie, S.
Deposit date:2013-11-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing.
Dna Repair, 14, 2014
6G3C
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BU of 6g3c by Molmil
Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2
Descriptor: 1,2-ETHANEDIOL, 2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one, Tyrosine-protein kinase
Authors:Dekker, C, Hinniger, A.
Deposit date:2018-03-24
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
Acs Chem.Biol., 14, 2019
6E6M
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BU of 6e6m by Molmil
Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO)
Descriptor: (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1
Authors:Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-25
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
4ODL
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BU of 4odl by Molmil
Structure of SlyD from Thermus thermophilus in complex with S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase SlyD
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.916 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
4ODQ
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BU of 4odq by Molmil
Structure of SlyD delta-IF from Thermus thermophilus in complex with S3 peptide
Descriptor: 30S ribosomal protein S3, CALCIUM ION, CHLORIDE ION, ...
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
4ODN
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BU of 4odn by Molmil
Structure of SlyD from Thermus thermophilus in complex with S2-plus peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, GLYCEROL, ...
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
6EI5
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BU of 6ei5 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-17
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
7QEJ
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BU of 7qej by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA).
Descriptor: 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX
Authors:Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
Deposit date:2021-12-03
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
7QEK
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BU of 7qek by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA).
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX
Authors:Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
Deposit date:2021-12-03
Release date:2022-12-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
7QHA
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BU of 7qha by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol
Descriptor: Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ...
Authors:North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J.
Deposit date:2021-12-11
Release date:2022-12-21
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
7QDE
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BU of 7qde by Molmil
NMR structure of Npl3 RRM12 bound to the AUCCAGUGGAA RNA
Descriptor: Nucleolar protein 3, RNA (5'-R(*AP*UP*CP*CP*AP*GP*UP*GP*GP*AP*A)-3')
Authors:Allain, F.H.-T, Clery, A, Moursy, A.
Deposit date:2021-11-26
Release date:2022-12-21
Last modified:2024-01-10
Method:SOLUTION NMR
Cite:RNA recognition by Npl3p reveals U2 snRNA-binding compatible with a chaperone role during splicing.
Nat Commun, 14, 2023
7QTH
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BU of 7qth by Molmil
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant C453A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Edwards, M.J, Clarke, T.A.
Deposit date:2022-01-14
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Cysteine Pair Controls Flavin Reduction by Extracellular Cytochromes during Anoxic/Oxic Environmental Transitions.
Mbio, 14, 2023
8QHC
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BU of 8qhc by Molmil
Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX
Descriptor: E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, R, Adams, M, Bhogaraju, S.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
8QFS
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BU of 8qfs by Molmil
Cryo-EM structure of SidH from Legionella pneumophila
Descriptor: Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sharma, R, Weis, F, Bhogaraju, S.
Deposit date:2023-09-04
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
7QCN
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BU of 7qcn by Molmil
Structure of the MUCIN-2 Cterminal domains: vWCN to TIL domains with a C2 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ...
Authors:Gallego, P, Hansson, G.C.
Deposit date:2021-11-24
Release date:2023-03-08
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins.
Nat Commun, 14, 2023
7QCU
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BU of 7qcu by Molmil
Structure of the MUCIN-2 Cterminal domains partially deglycosylated.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ...
Authors:Gallego, P, Hansson, G.C.
Deposit date:2021-11-25
Release date:2023-03-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins.
Nat Commun, 14, 2023
8QHR
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BU of 8qhr by Molmil
Crystal structure of the human DNPH1 glycosyl-enzyme intermediate
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, 1,2-ETHANEDIOL, 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, ...
Authors:Rzechorzek, N.J, West, S.C.
Deposit date:2023-09-09
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Nat Commun, 14, 2023

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