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6A1P
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BU of 6a1p by Molmil
Mandelate oxidase mutant-Y128F with 5-deazariboflavin mononucleotide and phenylpyruvic acid
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 3-PHENYLPYRUVIC ACID, 4-hydroxymandelate oxidase, ...
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-07
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A24
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BU of 6a24 by Molmil
The crystal structure of Mandelate oxidase with 3-fluoropyruvate
Descriptor: 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, FLUORIDE ION, ...
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-08
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
8HN1
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BU of 8hn1 by Molmil
Cryo-EM structure of AdTx1-alpha1AAR-Nb6
Descriptor: Alpha-1A adrenergic receptor, Nb6, Toxin AdTx1
Authors:Liu, X, Shi, M.
Deposit date:2022-12-06
Release date:2023-12-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of AdTx1-alpha1AAR-Nb6
To Be Published
8HO4
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BU of 8ho4 by Molmil
Falcilysin in complex with MMV000848
Descriptor: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2022-12-09
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
6A4A
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BU of 6a4a by Molmil
Oligoribonuclease (ORN) from Colwellia psychrerythraea strain 34H
Descriptor: MAGNESIUM ION, Oligoribonuclease
Authors:Lee, C.W, Park, S, Lee, J.H.
Deposit date:2018-06-19
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of small RNA hydrolysis by oligoribonuclease (CpsORN) from Colwellia psychrerythraea strain 34H.
Sci Rep, 9, 2019
6A75
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BU of 6a75 by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
Descriptor: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-07-02
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
To Be Published
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
8HO5
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BU of 8ho5 by Molmil
Falcilysin in complex with MMV665806
Descriptor: (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2022-12-09
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
6A7F
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BU of 6a7f by Molmil
The cryo-EM structure of filamentous bacteriophage IKe major coat protein p8 shell assembly.
Descriptor: major coat protein p8
Authors:Xu, J.W, Dayan, N, Goldbourt, A, Xiang, Y.
Deposit date:2018-07-03
Release date:2019-02-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-electron microscopy structure of the filamentous bacteriophage IKe.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8HQT
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BU of 8hqt by Molmil
The complex structure of COPI cargo sorting module with SARS-CoV-2 Spike KxHxx sorting motif
Descriptor: Coatomer subunit beta', SARS-CoV-2 Spike KxHxx motif
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
8HQX
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BU of 8hqx by Molmil
The complex structure of COPI cargo sorting module with TAT-WDM peptide
Descriptor: Coatomer subunit beta', TAT-WDM KxKxx motif
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:The complex structure of COPI cargo sorting module with TAT-WDM peptide
To Be Published
6A6I
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BU of 6a6i by Molmil
Crystal structure of the winged-helix domain of Cockayne syndrome group B protein in complex with ubiquitin
Descriptor: CHLORIDE ION, Excision repair cross-complementing rodent repair deficiency, complementation group 6 variant, ...
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2018-06-28
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of ubiquitin recognition by the winged-helix domain of Cockayne syndrome group B protein.
Nucleic Acids Res., 47, 2019
6AAE
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BU of 6aae by Molmil
Crystal structure of Chloramphenicol-Metabolizaing Enzyme EstDL136
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, PENTAETHYLENE GLYCOL
Authors:Kim, S.H, Kang, P.A, Han, K.T, Lee, S.W, Rhee, S.K.
Deposit date:2018-07-18
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Crystal structure of chloramphenicol-metabolizing enzyme EstDL136 from a metagenome.
PLoS ONE, 14, 2019
6A7I
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BU of 6a7i by Molmil
CYP154C4 from Streptomyces sp. W2061
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, C.W, Lee, J.H.
Deposit date:2018-07-03
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures.
Febs J., 286, 2019
6A84
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BU of 6a84 by Molmil
Tankyrase-2 in complex with compound 15d
Descriptor: 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-07-06
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
4V6B
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BU of 4v6b by Molmil
Crystal structure of human ferritin Phe167SerfsX26 mutant.
Descriptor: CALCIUM ION, Ferritin
Authors:Hurley, T.D, Vidal, R.
Deposit date:2009-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unraveling of the E-helices and disruption of 4-fold pores are associated with iron mishandling in a mutant ferritin causing neurodegeneration
J.Biol.Chem., 285, 2010
8HQW
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BU of 8hqw by Molmil
The complex structure of COPI cargo sorting module with MHV Spike Hxx sorting motif
Descriptor: Coatomer subunit beta',MHV Spike Hxx sorting motif
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
8HR4
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BU of 8hr4 by Molmil
[D-Cys5,D-Lys16]-STp(5-17)
Descriptor: DCY-CYS-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CYS-ALA-DLY-CYS
Authors:Shimamoto, S, Hidaka, Y, Yoshino, S, Goto, M.
Deposit date:2022-12-14
Release date:2023-12-20
Method:SOLUTION NMR
Cite:The molecular basis of heat-stable enterotoxin for vaccine development and cancer cell detection
To Be Published
6ABZ
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BU of 6abz by Molmil
Crystal Structure of HEWL in deionized water
Descriptor: CHLORIDE ION, Lysozyme C, S-1,2-PROPANEDIOL, ...
Authors:Seyedarabi, A, Seraj, Z.
Deposit date:2018-07-24
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
4V7P
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BU of 4v7p by Molmil
Recognition of the amber stop codon by release factor RF1.
Descriptor: 16S rRNA (1504-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Zhu, J, Asahara, H, Noller, H.F.
Deposit date:2010-04-29
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Recognition of the amber UAG stop codon by release factor RF1.
Embo J., 29, 2010
6AA9
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BU of 6aa9 by Molmil
T166A mutant of D-Serine deaminase from Salmonella typhimurium
Descriptor: D-serine dehydratase, PHOSPHATE ION, SODIUM ION
Authors:Deka, G, Bharath, S.R, Shavithri, H.S, Murthy, M.R.N.
Deposit date:2018-07-17
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies on the decameric S. typhimurium arginine decarboxylase (ADC): Pyridoxal 5'-phosphate binding induces conformational changes
Biochem. Biophys. Res. Commun., 490, 2017
6AC8
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BU of 6ac8 by Molmil
Crystal structure of Mycobacterium smegmatis Mfd at 2.75 A resolution
Descriptor: Mycobacterium smegmatis Mfd, SULFATE ION
Authors:Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R.
Deposit date:2018-07-25
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd
To Be Published
4V99
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BU of 4v99 by Molmil
The Crystallographic Structure of Panicum Mosaic Virus
Descriptor: 5'-R(P*UP*UP*AP*AP*UP*AP*UP*UP*UP*UP*UP*AP*UP*UP*UP*UP*U)-3', CALCIUM ION, Capsid protein
Authors:Makino, D.L, Larson, S.B, McPherson, A.
Deposit date:2012-07-04
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystallographic structure of Panicum Mosaic Virus (PMV).
J.Struct.Biol., 181, 2013
6ACX
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BU of 6acx by Molmil
Crystal structure of Mycobacterium smegmatis Mfd in complex with ADP + Pi at 3.5 A resolution.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Mycobacterium smegmatis Mfd, PHOSPHATE ION, ...
Authors:Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R.
Deposit date:2018-07-27
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd
To Be Published
8HOC
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BU of 8hoc by Molmil
Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex
Descriptor: 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y.
Deposit date:2022-12-09
Release date:2023-12-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published

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