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8DL8
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BU of 8dl8 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc
Descriptor: 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ...
Authors:Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
Deposit date:2022-07-07
Release date:2022-12-07
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
8DL7
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BU of 8dl7 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ...
Authors:Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
Deposit date:2022-07-07
Release date:2022-12-07
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis of ferroportin inhibition by minihepcidin PR73.
Plos Biol., 21, 2023
8DL6
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BU of 8dl6 by Molmil
Cryo-EM structure of human ferroportin/slc40 bound to Ca2+ in nanodisc
Descriptor: 11F9 heavy-chain, 11F9 light-chain, CALCIUM ION, ...
Authors:Shen, J, Wilbon, A.S, Pan, Y, Zhou, M.
Deposit date:2022-07-07
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of Ca 2+ transport by ferroportin.
Elife, 12, 2023
8DL5
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BU of 8dl5 by Molmil
Crystal structure of PLP-dependent Mannich cyclase LolT
Descriptor: Aminotransferase, class V/Cysteine desulfurase, GLYCEROL
Authors:Gao, J, Hai, Y.
Deposit date:2022-07-06
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A pyridoxal 5'-phosphate-dependent Mannich cyclase.
Nat Catal, 2023
8DL4
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BU of 8dl4 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
Descriptor: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
8DL3
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BU of 8dl3 by Molmil
Crystal structure of the human queuine salvage enzyme DUF2419, complexed with queuine
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, Queuosine salvage protein
Authors:Hung, S.-H, Swairjo, M.A.
Deposit date:2022-07-06
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Nucleic Acids Res., 51, 2023
8DL2
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BU of 8dl2 by Molmil
BoGH13ASus from Bacteroides ovatus bound to acarbose
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Brown, H.A, DeVeaux, A.L, Koropatkin, N.M.
Deposit date:2022-07-06
Release date:2023-05-24
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut.
Cell.Mol.Life Sci., 80, 2023
8DKR
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BU of 8dkr by Molmil
Pseudomonas-phage E217 TerL nuclease domain
Descriptor: Large terminase protein, MAGNESIUM ION
Authors:Cingolani, G, Lokareddy, R, Hou, D.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Terminase Subunits from the Pseudomonas-Phage E217.
J.Mol.Biol., 434, 2022
8DKM
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BU of 8dkm by Molmil
Cryo-EM structure of cystine-bound cystinosin in a lumen-open state
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin, ...
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKL
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BU of 8dkl by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-07-05
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DKD
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BU of 8dkd by Molmil
Sliding clamp from M. thermoresistibile
Descriptor: Beta sliding clamp
Authors:Kapur, M.K, Gray, O.J, Honzatko, R.H, Nelson, S.N.
Deposit date:2022-07-05
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interaction of sliding clamp with mycobacterial polymerases
To Be Published
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
8DKA
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BU of 8dka by Molmil
Abp2D receptor binding domain R86E
Descriptor: Abp2D Receptor Binding Domain R86E
Authors:Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
Deposit date:2022-07-05
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DK7
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BU of 8dk7 by Molmil
Crystal structure of theophylline aptamer soaked with TAL2
Descriptor: FAB heavy chain, FAB light chain, RNA (34-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-07-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DJX
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BU of 8djx by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II
Descriptor: L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJW
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BU of 8djw by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - hydroperoxo complex
Descriptor: L-ascorbate peroxidase, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJU
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BU of 8dju by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex
Descriptor: (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJT
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BU of 8djt by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - four ascorbates complex
Descriptor: ASCORBIC ACID, GLYCEROL, L-ascorbate peroxidase, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJS
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BU of 8djs by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - one ascorbate complex
Descriptor: ASCORBIC ACID, GLYCEROL, L-ascorbate peroxidase, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJR
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BU of 8djr by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor
Descriptor: L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
8DJG
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BU of 8djg by Molmil
ADGRL3-lectin domain in complex with an activating synthetic antibody fragment
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ...
Authors:Kordon, S.P, Bandekar, S.J, Arac, D.
Deposit date:2022-06-30
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder.
Nat Commun, 14, 2023
8DJE
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BU of 8dje by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
8DJC
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BU of 8djc by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
Descriptor: (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
8DJ9
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BU of 8dj9 by Molmil
Carbonic Anhydrase II in complex with Ibuprofen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ...
Authors:Combs, J.C, McKenna, R, Andring, J.T.
Deposit date:2022-06-30
Release date:2022-11-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022

222415

건을2024-07-10부터공개중

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