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7Q4S
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BU of 7q4s by Molmil
Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87, apo form.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Endolysin, TETRAETHYLENE GLYCOL
Authors:Seoane-Blanco, M, van Raaij, M.J.
Deposit date:2021-11-02
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain.
Acta Crystallogr D Struct Biol, 78, 2022
7N77
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BU of 7n77 by Molmil
Cryo-EM structure of ATP13A2 D458N/D962N mutant in the AlF-bound E1P-like state
Descriptor: CHOLESTEROL HEMISUCCINATE, Isoform 3 of Polyamine-transporting ATPase 13A2, MAGNESIUM ION, ...
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
7NIC
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BU of 7nic by Molmil
CryoEM structure of disease related M854K MDA5-dsRNA filament in complex with ADP-AlF4(minor class)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*GP*UP*CP*AP*AP*GP*CP*CP*GP*AP*GP*GP*AP*GP*A)-3'), ...
Authors:Yu, Q, Modis, Y.
Deposit date:2021-02-11
Release date:2021-11-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:MDA5 disease variant M854K prevents ATP-dependent structural discrimination of viral and cellular RNA.
Nat Commun, 12, 2021
7NIQ
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BU of 7niq by Molmil
CryoEM structure of disease related M854K MDA5-dsRNA filament in complex with ADP-AlF4(Major class)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*AP*UP*CP*UP*CP*CP*UP*CP*GP*GP*CP*UP*UP*G)-3'), ...
Authors:Yu, Q, Modis, Y.
Deposit date:2021-02-13
Release date:2021-11-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:MDA5 disease variant M854K prevents ATP-dependent structural discrimination of viral and cellular RNA.
Nat Commun, 12, 2021
7Q1W
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BU of 7q1w by Molmil
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-10-21
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
7PK6
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BU of 7pk6 by Molmil
Providencia stuartii Arginine decarboxylase (Adc), stack structure
Descriptor: Biodegradative arginine decarboxylase
Authors:Jessop, M, Desfosses, A, Bacia-Verloop, M, Gutsche, I.
Deposit date:2021-08-25
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Structural and biochemical characterisation of the Providencia stuartii arginine decarboxylase shows distinct polymerisation and regulation.
Commun Biol, 5, 2022
7N36
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BU of 7n36 by Molmil
Crystal structure of wild-type human gamma(S)-crystallin
Descriptor: Gamma-crystallin S
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N37
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BU of 7n37 by Molmil
Crystal structure of 3-site deamidated variant of human gamma(S)-crystallin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N38
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BU of 7n38 by Molmil
Crystal structure of 5-site deamidated variant of human gamma(S)-crystallin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N39
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BU of 7n39 by Molmil
Crystal structure of 7-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S, SULFATE ION
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N3A
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BU of 7n3a by Molmil
Crystal structure of 9-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N3B
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BU of 7n3b by Molmil
Crystal structure of aged 9-site deamidated variant of human gamma(S)-crystallin
Descriptor: Gamma-crystallin S
Authors:Norton-Baker, B, Mehrabi, P, Martin, R.W.
Deposit date:2021-05-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
7N1S
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BU of 7n1s by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Descriptor: Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Fernandez, D, Li, L, Brown, J.A, Carozza, J.A.
Deposit date:2021-05-28
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
5BNV
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BU of 5bnv by Molmil
Crystal structure of Human MCM2 HBD chaperoning a histone H3-H4 tetramer
Descriptor: DNA replication licensing factor MCM2, Histone H3.3, Histone H4, ...
Authors:Huang, H, Patel, D.J.
Deposit date:2015-05-26
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:A unique binding mode enables MCM2 to chaperone histones H3-H4 at replication forks.
Nat.Struct.Mol.Biol., 22, 2015
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
Descriptor: LITHIUM ION, OmpK36, TETRADECANE
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-12
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
5EXL
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BU of 5exl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
7PVW
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BU of 7pvw by Molmil
Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant
Descriptor: ACETATE ION, Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, TETRAETHYLENE GLYCOL
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
7Q10
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BU of 7q10 by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
7Q1D
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BU of 7q1d by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-18
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
7Q1X
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BU of 7q1x by Molmil
Acetyltrasferase(3) type IIIa in complex with neomycin B
Descriptor: Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
7Q0Q
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BU of 7q0q by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
7Q5C
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BU of 7q5c by Molmil
Crystal structure of OmpG in space group 96
Descriptor: Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R.
Deposit date:2021-11-03
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.717 Å)
Cite:Experimental phase diagrams to optimise OmpG
To Be Published
5C0C
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BU of 5c0c by Molmil
1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA
Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
7PLJ
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BU of 7plj by Molmil
Structure of Polyphosphate kinase 2 from Deinococcus radiodurans, in complex with ATP and polyphosphates.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Silva, S.T.N, Romao, C.V.
Deposit date:2021-08-31
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of Polyphosphate kinase 2 from Deinococcus radiodurans, in complex with ATP and polyphosphates.
To Be Published

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PDB entries from 2024-07-17

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