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8VK9
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BU of 8vk9 by Molmil
Structure of UbV.d2.3 in complex with Ube2d2-S22R
Descriptor: GLYCEROL, Ubiquitin variant D2.3, Ubiquitin-conjugating enzyme E2 D2
Authors:Middleton, A.J.
Deposit date:2024-01-08
Release date:2024-09-25
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biophysical characterisation of ubiquitin variants that inhibit the ubiquitin conjugating enzyme Ube2d2.
Febs J., 291, 2024
8SYC
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BU of 8syc by Molmil
Crystal structure of PDE3B in complex with GSK4394835A
Descriptor: MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Authors:Concha, N.O, Nolte, R.
Deposit date:2023-05-25
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
8T1M
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BU of 8t1m by Molmil
Novel Domain of Unknown Function Solved with AlphaFold
Descriptor: DUF1842 domain-containing protein
Authors:Miller, J.E, Agdanowski, M.P, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-06-02
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
8IVL
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BU of 8ivl by Molmil
FABP7 complexed with Cholesterol
Descriptor: CHOLESTEROL, Fatty acid-binding protein, brain
Authors:Wei, P.C, Zhao, K, Yin, L.
Deposit date:2023-03-28
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes.
J.Cell Biol., 223, 2024
8IVF
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BU of 8ivf by Molmil
FABP7 complexed with 25-HC
Descriptor: 25-HYDROXYCHOLESTEROL, Fatty acid-binding protein, brain
Authors:Wei, P.C, Zhao, K, Yin, L.
Deposit date:2023-03-27
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fatty acid-binding proteins 3, 7, and 8 bind cholesterol and facilitate its egress from lysosomes.
J.Cell Biol., 223, 2024
8BA0
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BU of 8ba0 by Molmil
Drosophila melanogaster complex I in the Twisted state (Dm2)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
Authors:Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J.
Deposit date:2022-10-10
Release date:2023-01-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
8B9Z
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BU of 8b9z by Molmil
Drosophila melanogaster complex I in the Active state (Dm1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Agip, A.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J.
Deposit date:2022-10-10
Release date:2023-01-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
4WBH
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BU of 4wbh by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I APO - 2.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Protein notum homolog, ...
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-03
Release date:2015-02-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Notum deacylates Wnt proteins to suppress signalling activity
Nature, 519, 2015
4WDI
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BU of 4wdi by Molmil
Weak TCR binding to an unstable insulin epitope drives type 1 diabetes
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2014-09-08
Release date:2015-06-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Distortion of the Major Histocompatibility Complex Class I Binding Groove to Accommodate an Insulin-derived 10-Mer Peptide.
J.Biol.Chem., 290, 2015
6M14
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BU of 6m14 by Molmil
Crystal Structure of the BARD1 BRCT Mutant
Descriptor: BRCA1-associated RING domain protein 1, SULFATE ION
Authors:Chen, T, Huang, W.T.
Deposit date:2020-02-24
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88001835 Å)
Cite:BARD1 is an ATPase activating protein for OLA1.
Biochim Biophys Acta Gen Subj, 1866, 2022
8VJT
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BU of 8vjt by Molmil
Structure of the poly-UG quadruplex (GUGUGU)4
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*U)-3'), SODIUM ION
Authors:Bingman, C.A, Montemayor, E.J, Roschdi, S, Nomura, Y, Butcher, S.E.
Deposit date:2024-01-08
Release date:2024-10-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.052 Å)
Cite:Self-assembly and condensation of intermolecular poly(UG) RNA quadruplexes.
Nucleic Acids Res., 52, 2024
6M0Q
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BU of 6m0q by Molmil
Hydroxylamine oxidoreductase from Nitrosomonas europaea
Descriptor: Aerobic hydroxylamine oxidoreductase, DI(HYDROXYETHYL)ETHER, HEME C, ...
Authors:Fujiwara, T, Fujimoto, Z, Nishigaya, Y, Yamazaki, T.
Deposit date:2020-02-22
Release date:2021-03-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Juglone, a plant-derived 1,4-naphthoquinone, binds to hydroxylamine oxidoreductase and inhibits the electron transfer to cytochrome c 554.
Appl.Environ.Microbiol., 89, 2023
6M0P
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BU of 6m0p by Molmil
Hydroxylamine oxidoreductase in complex with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, Aerobic hydroxylamine oxidoreductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Fujiwara, T, Fujimoto, Z, Nishigaya, Y, Yamazaki, T.
Deposit date:2020-02-22
Release date:2021-03-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Juglone, a plant-derived 1,4-naphthoquinone, binds to hydroxylamine oxidoreductase and inhibits the electron transfer to cytochrome c 554.
Appl.Environ.Microbiol., 89, 2023
4UUI
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BU of 4uui by Molmil
A case study for twinned data analysis: multiple crystal forms of the enzyme N-acetyl-neuraminic lyase
Descriptor: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID, ...
Authors:Campeotto, I, Phillips, S.E.V, Pearson, A.R.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Case Study for Twinned Data Analysis: Multiple Crystal Forms of the Enzyme N-Acetyl-Neuraminic Lyase
To be Published
8FU5
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BU of 8fu5 by Molmil
Crystal structure of Fe-CAO1 in complex with piceatannol
Descriptor: BENZOIC ACID, Carotenoid oxygenase, FE (II) ION, ...
Authors:Kiser, P.D.
Deposit date:2023-01-16
Release date:2024-08-07
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Spectroscopy and crystallography define carotenoid oxygenases as a new subclass of mononuclear non-heme Fe II enzymes.
J.Biol.Chem., 2025
8FU2
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BU of 8fu2 by Molmil
Crystal structure of T151G CAO1 in complex with piceatannol
Descriptor: BENZOIC ACID, Carotenoid oxygenase, FE (II) ION, ...
Authors:Kiser, P.D.
Deposit date:2023-01-16
Release date:2024-08-07
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Spectroscopy and crystallography define carotenoid oxygenases as a new subclass of mononuclear non-heme Fe II enzymes.
J.Biol.Chem., 2025
4URG
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BU of 4urg by Molmil
Crystal Structure of GGDEF domain from T.maritima (active-like dimer)
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIGUANYLATE CYCLASE
Authors:Deepthi, A, Liew, C.W, Liang, Z.X, Swaminathan, K, Lescar, J.
Deposit date:2014-06-30
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
6M2D
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BU of 6m2d by Molmil
MUL1-RING domain
Descriptor: Mitochondrial ubiquitin ligase activator of NFKB 1, SULFATE ION, ZINC ION
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-02-27
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
8V2U
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BU of 8v2u by Molmil
Structure of Asterias rubens peptide KASH2-amide
Descriptor: Kartesh 2
Authors:Takjoo, R, Le Quilliec, J, Daly, N.L.
Deposit date:2023-11-23
Release date:2024-11-27
Last modified:2025-03-19
Method:SOLUTION NMR
Cite:Structural analysis of an Asterias rubens peptide indicates the presence of a disulfide-directed beta-hairpin fold.
Febs Open Bio, 15, 2025
6M2C
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BU of 6m2c by Molmil
Distinct mechanism of MUL1-RING domain simultaneously recruiting E2 enzyme and the substrate p53-TAD domain
Descriptor: Mitochondrial ubiquitin ligase activator of NFKB 1, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-02-27
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
8V2M
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BU of 8v2m by Molmil
Structure of Asterias rubens peptide (KASH2)
Descriptor: Kartesh 2
Authors:Takjoo, R, Daly, N.L.
Deposit date:2023-11-23
Release date:2024-11-27
Last modified:2025-03-19
Method:SOLUTION NMR
Cite:Structural analysis of an Asterias rubens peptide indicates the presence of a disulfide-directed beta-hairpin fold.
Febs Open Bio, 15, 2025
4URQ
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BU of 4urq by Molmil
Crystal Structure of GGDEF domain (I site mutant) from T.maritima
Descriptor: DIGUANYLATE CYCLASE
Authors:Deepthi, A, Liew, C.W, Liang, Z.X, Swamianthan, K, Lescar, J.
Deposit date:2014-07-01
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
1CSS
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BU of 1css by Molmil
ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH
Descriptor: ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1995-08-04
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.
Biochemistry, 34, 1995
4V07
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BU of 4v07 by Molmil
Dimeric pseudorabies virus protease pUL26N at 2.1 A resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, UL26
Authors:Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2014-09-11
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
3NPZ
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BU of 3npz by Molmil
Prolactin Receptor (PRLR) Complexed with the Natural Hormone (PRL)
Descriptor: Prolactin, Prolactin receptor
Authors:Van Agthoven, J, England, P, Goffin, V, Broutin, I.
Deposit date:2010-06-29
Release date:2010-10-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural characterization of the stem-stem dimerization interface between prolactin receptor chains complexed with the natural hormone.
J.Mol.Biol., 404, 2010

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數據於2025-04-23公開中

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