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9OL7
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BU of 9ol7 by Molmil
Backbone-modified parallel beta hairpin (PBH): wild-type
Descriptor: (ACE)KNVLYRR peptide, (ACE)SKTFIQV(DPR)(4G6) peptide
Authors:Starnes, S.K, Horne, W.S, Del Valle, J.R.
Deposit date:2025-05-12
Release date:2025-12-03
Method:SOLUTION NMR
Cite:Impact of Strand Edge N-Amination on the Stability of a Parallel beta-Hairpin Fold.
J.Org.Chem., 2025
9OL8
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BU of 9ol8 by Molmil
Backbone-modified parallel beta hairpin (PBH): N-alpha-amino Arginine at position 17
Descriptor: (ACE)KNVLYR(A1CCS) peptide, (ACE)SKTFIQV(DPR)(4G6) peptide
Authors:Starnes, S.K, Horne, W.S, Del Valle, J.R.
Deposit date:2025-05-12
Release date:2025-12-03
Method:SOLUTION NMR
Cite:Impact of Strand Edge N-Amination on the Stability of a Parallel beta-Hairpin Fold.
J.Org.Chem., 2025
9OL9
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BU of 9ol9 by Molmil
Backbone-modified parallel beta hairpin (PBH): N-alpha-amino Phenylalanine at position 4
Descriptor: (ACE)KNVLYRR peptide, (ACE)SKT(A1CCR)IQV(DPR)(4G6) peptide
Authors:Starnes, S.K, Horne, W.S, Del Valle, J.R.
Deposit date:2025-05-12
Release date:2025-12-03
Method:SOLUTION NMR
Cite:Impact of Strand Edge N-Amination on the Stability of a Parallel beta-Hairpin Fold.
J.Org.Chem., 2025
9OLA
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BU of 9ola by Molmil
Backbone-modified parallel beta hairpin (PBH): N-alpha-amino Tyrosine at position 15
Descriptor: (ACE)KNVL(A1CCQ)RR peptide, (ACE)SKTFIQV(DPR)(4G6) peptide
Authors:Starnes, S.K, Horne, W.S, Del Valle, J.R.
Deposit date:2025-05-12
Release date:2025-12-03
Method:SOLUTION NMR
Cite:Impact of Strand Edge N-Amination on the Stability of a Parallel beta-Hairpin Fold.
J.Org.Chem., 2025
9OP1
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BU of 9op1 by Molmil
Cryo-EM structure of Candida albicans fluoride channel FEX in complex with Fab fragment
Descriptor: 10E8v4 Fab Heavy Chian, 10E8v4 Fab Light Chain, Transmembrane protein gp41,Fluoride export protein 1
Authors:Kang, C.-Y, An, M.J, Ohi, M.D, Stockbridge, R.B.
Deposit date:2025-05-16
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:The molecular basis of sodium-dependent fluoride export by the eukaryotic fluoride channel FEX
To Be Published
9OQS
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BU of 9oqs by Molmil
N-hydroxylamine dehydratase (NohD) crystal structure with heme
Descriptor: 1,2-ETHANEDIOL, N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQT
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BU of 9oqt by Molmil
N-hydroxylamine dehydratase (NohD) T98A/K167A mutant crystal structure with heme and N-hydroxylated ornithine (2.5h soak)
Descriptor: 1,2-ETHANEDIOL, N-hydroxylamine dehydratase (NohD), N~5~-hydroxy-L-ornithine, ...
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQU
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BU of 9oqu by Molmil
N-hydroxylamine dehydratase (NohD) T98A/K167A mutant crystal structure with heme and N-hydroxylated ornithine (5h soak)
Descriptor: N-hydroxylamine dehydratase (NohD), N~5~-hydroxy-L-ornithine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQV
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BU of 9oqv by Molmil
N-hydroxylamine dehydratase (NohD) R144Y/V96A (A1/A2) mutant crystal structure with heme
Descriptor: GLYCEROL, N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQW
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BU of 9oqw by Molmil
N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144A (P1/P2/A1) mutant crystal structure with heme
Descriptor: 1,2-ETHANEDIOL, N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQX
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BU of 9oqx by Molmil
N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/R144Y/V96A (P1/A1/A2) mutant crystal structure with heme
Descriptor: GLYCEROL, N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OQZ
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BU of 9oqz by Molmil
N-hydroxylamine dehydratase (NohD) A59N/R144Y/V96A (P2/A1/A2) mutant crystal structure with heme
Descriptor: N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OR0
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BU of 9or0 by Molmil
N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144Y/V96A (P1/P2/A1/A2) mutant crystal structure with heme
Descriptor: 1,2-ETHANEDIOL, N-hydroxylamine dehydratase (NohD), PROTOPORPHYRIN IX CONTAINING FE
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OR1
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BU of 9or1 by Molmil
N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144Y/V96A/D172E/L172Q/D173P/R176V (P1/P2/A1/A2/A3) mutant crystal structure with heme and N-hydroxylated ornithine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-hydroxylamine dehydratase (NohD), N~5~-hydroxy-L-ornithine, ...
Authors:Higgins, M.A, Shi, X, Hoffarth, E.R, Du, Y.L, Ryan, K.S.
Deposit date:2025-05-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.
J.Am.Chem.Soc., 147, 2025
9OT6
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BU of 9ot6 by Molmil
Cryo-EM structure of the PI4KA complex bound to an EFR3 interfering nanobody (F3IN)
Descriptor: EFR3 interfering Nanobody (F3IN), Hyccin, Phosphatidylinositol 4-kinase alpha, ...
Authors:Shaw, A.L, Suresh, S, Yip, C.K, Burke, J.E.
Deposit date:2025-05-26
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Development of an inhibitory TTC7B selective nanobody that blocks EFR3 recruitment of PI4KA.
J.Biol.Chem., 2025
9OUK
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BU of 9ouk by Molmil
DDB1-CRBN with Ikaros(ZF2) and DEG-47: composite map and model submission
Descriptor: DNA damage-binding protein 1, DNA-binding protein Ikaros, N-{2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}benzamide, ...
Authors:Rizvi, Z, Lander, G.C.
Deposit date:2025-05-28
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Identification of a cryptic allosteric site on the E3 ligase adapter protein cereblon
To Be Published
9OUV
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BU of 9ouv by Molmil
Crystal structure of human IGG1 FC fragment-FC-gamma receptor IIB complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain Fc fragment, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2025-05-29
Release date:2025-12-03
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Cross-species analysis of FcgRIIa/b (CD32a/b) polymorphisms at position 131: structural and functional insights into the mechanism of IgG- mediated phagocytosis in human and macaque
Front Immunol, 2025
9OVF
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BU of 9ovf by Molmil
Rubredoxin covalently linked to benzo-18-crown-6
Descriptor: 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-thiol, ACETATE ION, FE (III) ION, ...
Authors:Adhami, N, Sawaya, M.R, Shafaat, H.S, Rodriguez, J.A, Spokoyny, A.M.
Deposit date:2025-05-29
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Site-selective Au(III)-mediated metalloenzyme conjugations
To Be Published
9OZO
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BU of 9ozo by Molmil
Structure of phospholipase D BetaIB1i from Sicarius terrosus venom, H47N mutant bound to product and substrate sphingolipids at 2.2 A resolution from a 2-day old crystal
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-aminoethyl (2S,3R,4E)-2-dodecanamido-3-hydroxyheptadec-4-en-1-yl hydrogen (S)-phosphate, Dermonecrotic toxin StSicTox-betaIB1i, ...
Authors:Sundman, A.K, Montfort, W.R, Binford, G.J, Cordes, M.H.
Deposit date:2025-06-05
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of phospholipase D BetaIB1i from Sicarius terrosus venom, H47N mutant bound to product and substrate sphingolipids at 1.85 A resolution
To Be Published
9OZS
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BU of 9ozs by Molmil
Structure of phospholipase D BetaIB1i from Sicarius terrosus venom, H47N mutant bound to substrate sphingolipids at 2.60 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-aminoethyl (2S,3R,4E)-2-dodecanamido-3-hydroxyheptadec-4-en-1-yl hydrogen (S)-phosphate, Dermonecrotic toxin StSicTox-betaIB1i, ...
Authors:Sundman, A.K, Montfort, W.R, Binford, G.J, Cordes, M.H.
Deposit date:2025-06-05
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of phospholipase D BetaIB1i from Sicarius terrosus venom, H47N mutant bound to product and substrate sphingolipids at 1.85 A resolution
To Be Published
9P44
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BU of 9p44 by Molmil
Crystal structure of KRAS-G12D (GDP-bound) in complex with BBO-11818
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Chan, A.H, Bratcher, D.R, Simanshu, D.K.
Deposit date:2025-06-16
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of BBO-11818, a Potent and Selective Non-covalent Inhibitor of (ON) and (OFF) KRAS with Activity Against Multiple Oncogenic Mutants
Cancer Discov, 2025
9P45
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BU of 9p45 by Molmil
Crystal structure of KRAS-G12D (GMPPNP-bound) in complex with BBO-11818
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Chan, A.H, Bratcher, D.R, Simanshu, D.K.
Deposit date:2025-06-16
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of BBO-11818, a Potent and Selective Non-covalent Inhibitor of (ON) and (OFF) KRAS with Activity Against Multiple Oncogenic Mutants
Cancer Discov, 2025
9P46
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BU of 9p46 by Molmil
Crystal structure of HRAS-G12D/Q95H (GMPPNP-bound) in complex with BBO-11818
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Chan, A.H, Bratcher, D.R, Simanshu, D.K.
Deposit date:2025-06-16
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of BBO-11818, a Potent and Selective Non-covalent Inhibitor of (ON) and (OFF) KRAS with Activity Against Multiple Oncogenic Mutants
Cancer Discov, 2025
9PDQ
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BU of 9pdq by Molmil
Human OCTN2 bound to carnitine in the occluded conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARNITINE, Organic cation/carnitine transporter 2, ...
Authors:Davies, J.S, Zeng, Y.Z, Stewart, A.G.
Deposit date:2025-06-30
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural basis of sodium ion-dependent carnitine transport by OCTN2
To Be Published
9PFB
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BU of 9pfb by Molmil
Human OCTN2 bound to ipratropium in an inward-facing conformation
Descriptor: IPRATROPIUM, Organic cation/carnitine transporter 2, SODIUM ION
Authors:Davies, J.S, Zeng, Y.Z, Stewart, A.G.
Deposit date:2025-07-03
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis of sodium ion-dependent carnitine transport by OCTN2
To Be Published

245663

PDB entries from 2025-12-03

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