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9AV7
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Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, non-specific serine/threonine protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-01
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (AMP-PNP)
To be published
8UA5
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BU of 8ua5 by Molmil
Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776)
Descriptor: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
Authors:Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
Deposit date:2023-09-20
Release date:2024-02-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
8V33
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Crystal structure of S. aureus TarL N-terminal domain
Descriptor: SUCCINIC ACID, Teichoic acid ribitol-phosphate polymerase TarL
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2023-11-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cryo-EM analysis of S. aureus TarL, a polymerase in wall teichoic acid biogenesis central to virulence and antibiotic resistance.
Sci Adv, 10, 2024
8WMK
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Structure of ConA/Man2
Descriptor: 4-[3-(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ...
Authors:Li, L, Chen, G.
Deposit date:2023-10-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks.
To Be Published
8VEM
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BU of 8vem by Molmil
IsPETase - ACCE mutant
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8W0D
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BU of 8w0d by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
To be published
9BJA
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C. difficile Tcdb cysteine protease domain in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Toxin B
Authors:Veyron, S, Cummer, R.
Deposit date:2024-04-25
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile Toxin B
Chemrxiv, 2024
8WU6
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BU of 8wu6 by Molmil
Structure of a Nerylneryl Diphosphate Synthase from Solanum lycopersicum
Descriptor: Nerylneryl diphosphate synthase CPT2, chloroplastic
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2023-10-20
Release date:2024-05-08
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 63, 2024
9F4Y
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UP1 in complex with Z90120418
Descriptor: 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8UA2
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Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment)
Descriptor: IODIDE ION, RL2
Authors:Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
Deposit date:2023-09-20
Release date:2024-02-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
8UZ4
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BU of 8uz4 by Molmil
Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 form)
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-14
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 form)
To be published
8VBU
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BU of 8vbu by Molmil
Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Oxacillin) inhibited form
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Penicillin-binding protein 1
Authors:Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
Deposit date:2023-12-12
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
8URF
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BU of 8urf by Molmil
Crystal Structure of human ASGR2 CRD (Carbohydrate Recognition Domain) bound to 8G8 Fab
Descriptor: 8G8 Fab Heavy Chain, 8G8 Fab Light Chain, Asialoglycoprotein receptor 2, ...
Authors:Sampathumar, P, Li, Y.
Deposit date:2023-10-25
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8WNH
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BU of 8wnh by Molmil
Crystal structure of cis-epoxysuccinate hydrolase from Rhodococcus opacus
Descriptor: Epoxide hydrolase, FORMIC ACID
Authors:Han, Y, Kong, X.D, Xu, J.H.
Deposit date:2023-10-05
Release date:2024-06-12
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
8WT3
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BU of 8wt3 by Molmil
Crystal structure of peptidoglycan DL-endopeptidase CwlO
Descriptor: CHLORIDE ION, Peptidoglycan DL-endopeptidase CwlO
Authors:Tandukar, S, Kwon, E, Kim, D.Y.
Deposit date:2023-10-17
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of the peptidoglycan DL-endopeptidase CwlO complexed with its inhibitory protein IseA.
Febs J., 2024
9F4G
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BU of 9f4g by Molmil
UP1 in complex with Z1373445602
Descriptor: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8X1A
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BU of 8x1a by Molmil
Crystal structure of periplasmic G6P binding protein VcA0625
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Iron(III) ABC transporter, periplasmic iron-compound-binding protein
Authors:Dasgupta, J, Saha, I.
Deposit date:2023-11-06
Release date:2024-04-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural insights in to the atypical type-I ABC Glucose-6-phosphate importer VCA0625-27 of Vibrio cholerae.
Biochem.Biophys.Res.Commun., 716, 2024
8U8M
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BU of 8u8m by Molmil
X-ray crystal structure of TEBP-1 MCD2 homodimer
Descriptor: COBALT (II) ION, Double-strand telomeric DNA-binding proteins 1
Authors:Nandakumar, J, Padmanaban, S.
Deposit date:2023-09-18
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Caenorhabditis elegans telomere-binding proteins TEBP-1 and TEBP-2 adapt the Myb module to dimerize and bind telomeric DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9F4J
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BU of 9f4j by Molmil
UP1 in complex with Z416341642
Descriptor: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
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
8WY1
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BU of 8wy1 by Molmil
The structure of cyclization domain in cyclic beta-1,2-glucan synthase from Thermoanaerobacter italicus
Descriptor: Glycosyltransferase 36
Authors:Tanaka, N, Saito, R, Kobayashi, K, Nakai, H, Kamo, S, Kuramochi, K, Taguchi, H, Nakajima, M, Masaike, T.
Deposit date:2023-10-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Functional and structural analysis of a cyclization domain in a cyclic beta-1,2-glucan synthase.
Appl.Microbiol.Biotechnol., 108, 2024
8VFP
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BU of 8vfp by Molmil
The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid
Descriptor: 4-METHYLBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-12-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering Peroxygenase Activity into Cytochrome P450 Monooxygenases through Modification of the Oxygen Binding Region
Acs Catalysis, 2024
8UQW
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Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
8YT5
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BU of 8yt5 by Molmil
SP1746 treated with EDTA, in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical)
Authors:Jin, Y, Niu, L, Ke, J.
Deposit date:2024-03-25
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 2024
8ZKD
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BU of 8zkd by Molmil
The Crystal Structure of the RON from Biortus.
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Macrophage-stimulating protein receptor beta chain, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Pan, W.
Deposit date:2024-05-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of the RON from Biortus.
To Be Published

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PDB entries from 2024-07-17

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