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7R3S
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BU of 7r3s by Molmil
FtrA/P19 of Rubrivivax gelatinosus in complex with Ni
Descriptor: FtrA-P19 protein, GLYCEROL, NICKEL (II) ION, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2022-02-07
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.
Febs J., 289, 2022
8BQO
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BU of 8bqo by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I
Descriptor: CHLORIDE ION, GLYCEROL, Isoaspartyl peptidase subunit alpha, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-21
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
6CNJ
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BU of 6cnj by Molmil
Structure of the 2alpha3beta stiochiometry of the human Alpha4Beta2 nicotinic receptor
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Walsh Jr, R.M, Roh, S.H, Gharpure, A, Morales-Perez, C.L, Teng, J, Hibbs, R.E.
Deposit date:2018-03-08
Release date:2018-05-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural principles of distinct assemblies of the human alpha 4 beta 2 nicotinic receptor.
Nature, 557, 2018
7RGA
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BU of 7rga by Molmil
Crystal structure of nanoCLAMP3:VHH in complex with MTX
Descriptor: METHOTREXATE, SODIUM ION, nano CLostridial Antibody Mimetic Protein 3 VHH
Authors:Guo, Z, Alexandrov, K.
Deposit date:2021-07-14
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices.
Nat Commun, 12, 2021
8QJK
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BU of 8qjk by Molmil
Structure of the cytoplasmic domain of csx23 from Vibrio cholera in complex with cyclic tetra-adenylate (cA4)
Descriptor: ACETYL GROUP, Cyclic tetraadenosine monophosphate (cA4), SODIUM ION, ...
Authors:McMahon, S.A, McQuarrie, S, Gloster, T.M, Gruschow, S, White, M.F.
Deposit date:2023-09-13
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:A cyclic-nucleotide binding membrane protein provides CRISPR-mediated antiphage defence in Vibrio cholera
To Be Published
7RQX
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BU of 7rqx by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
8BGJ
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BU of 8bgj by Molmil
Crystal structure of Reverse Transcriptase domain from Caloramator australicus CART-CAPP
Descriptor: L(+)-TARTARIC ACID, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Li, A.W.H, Doherty, A.J.
Deposit date:2022-10-27
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Reverse transcriptases prime DNA synthesis.
Nucleic Acids Res., 51, 2023
8UR1
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BU of 8ur1 by Molmil
Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
Descriptor: CHLORIDE ION, GLYCEROL, N-acetylneuraminate lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-10-25
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
To be published
7RAD
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BU of 7rad by Molmil
Crystal Structure Analysis of ALDH1B1
Descriptor: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ...
Authors:Fernandez, D, Chen, J.K.
Deposit date:2021-07-01
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitors targeted to aldehyde dehydrogenase
Nat.Chem.Biol., 2022
7RQV
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BU of 7rqv by Molmil
Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ...
Authors:Kwon, D.H, Suo, Y, Lee, S.-Y.
Deposit date:2021-08-08
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis.
Nat Commun, 13, 2022
8BRD
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BU of 8brd by Molmil
Mechanisms of ion selectivity and rotor coupling in the bacterial flagellar sodium-driven stator unit
Descriptor: Chemotaxis protein PomA, Flagellar motor protein,VaPomB, SODIUM ION
Authors:Hu, H, Taylor, N.M.I.
Deposit date:2022-11-23
Release date:2023-06-14
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Ion selectivity and rotor coupling of the Vibrio flagellar sodium-driven stator unit.
Nat Commun, 14, 2023
8BTW
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BU of 8btw by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BS9
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BU of 8bs9 by Molmil
Structure of USP36 in complex with Ubiquitin-PA
Descriptor: Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ...
Authors:O'Dea, R, Gersch, M.
Deposit date:2022-11-24
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
7RCF
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BU of 7rcf by Molmil
Fourth stage reengineered variant of I-OnuI with stability enhancing substitutions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
7RCG
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BU of 7rcg by Molmil
I-OnuI_e-hPD1-f final stage reengineered variant of I-OnuI
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (26-MER), ...
Authors:Smiley, A.T, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
8UZN
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BU of 8uzn by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
Descriptor: ADENOSINE MONOPHOSPHATE, Betaine aldehyde dehydrogenase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
To be published
8BBY
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BU of 8bby by Molmil
VarB H/L (SLPL/SLPH) complex from C. difficile SlpA (R20291 strain)
Descriptor: S-layer protein, SODIUM ION
Authors:Barwinska-Sendra, A, Salgado, P.S.
Deposit date:2022-10-14
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An intact S-layer is advantageous to Clostridioides difficile within the host.
Plos Pathog., 19, 2023
8UZM
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BU of 8uzm by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADPH bound)
Descriptor: Betaine aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADPH bound)
To be published
7RCE
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BU of 7rce by Molmil
Third stage reengineered variant of I-OnuI with specificity enhancing substitutions
Descriptor: CALCIUM ION, DNA (26-MER), I-OnuI_e-hPD1-d, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
8B6E
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BU of 8b6e by Molmil
crystal structure of the DNA-binding short chromatophore-targeted protein sCTP-23166 from Paulinella chromatophora
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, sCTP-23166
Authors:Macorano, L, Applegate, V, Hoeppner, A, Smits, S.H.J, Nowack, E.C.M.
Deposit date:2022-09-27
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:DNA-binding and protein structure of nuclear factors likely acting in genetic information processing in the Paulinella chromatophore.
Proc.Natl.Acad.Sci.USA, 120, 2023
8UZO
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BU of 8uzo by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (ADP bound)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Betaine aldehyde dehydrogenase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (ADP bound)
To be published
8V2T
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BU of 8v2t by Molmil
Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591
Descriptor: 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ...
Authors:Junop, M.S, Brown, C, Szabla, R.
Deposit date:2023-11-23
Release date:2023-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
8BW5
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BU of 8bw5 by Molmil
X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, M08s-1_41mer, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Troisi, R, Napolitano, V, Sica, F.
Deposit date:2022-12-06
Release date:2023-07-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide.
Nucleic Acids Res., 51, 2023
8Q6L
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BU of 8q6l by Molmil
human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol
Descriptor: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, Carbonic anhydrase 1, SODIUM ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-08-13
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol
To Be Published
1M0O
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BU of 1m0o by Molmil
Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-methylpropanephosphonate
Descriptor: (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID, 2,2-Dialkylglycine decarboxylase, POTASSIUM ION, ...
Authors:Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D.
Deposit date:2002-06-13
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002

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PDB entries from 2024-10-16

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