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7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-04
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7U08
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BU of 7u08 by Molmil
Structure of CD148 fibronectin type III domain 1 and 2
Descriptor: PLATINUM (II) ION, Receptor-type tyrosine-protein phosphatase eta
Authors:Zhou, D, Zhu, J.
Deposit date:2022-02-17
Release date:2023-02-22
Method:X-RAY DIFFRACTION (3.30691743 Å)
Cite:Structure of CD148 fibronectin type III domain 1 and 2
To Be Published
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
Descriptor: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7TZL
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BU of 7tzl by Molmil
The DH dehydratase domain of AlnB
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase
To Be Published
8TYY
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BU of 8tyy by Molmil
Structure of a bacterial Ubl-deubiquitinase complex (form 2)
Descriptor: DUB(BilC) E33A Mutant, Ubl(BilA), ZINC ION
Authors:Ye, Q, Gong, M, Corbett, K.D.
Deposit date:2023-08-26
Release date:2024-06-12
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A eukaryotic-like ubiquitination system in bacterial antiviral defence.
Nature, 631, 2024
5TKH
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BU of 5tkh by Molmil
Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5FUW
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BU of 5fuw by Molmil
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd
Descriptor: PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ...
Authors:Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D.
Deposit date:2016-01-31
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Mol.Microbiol., 102, 2016
8TCT
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BU of 8tct by Molmil
Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1
Descriptor: 1,5-anhydro-D-ribo-hex-3-ulose, COBALT (II) ION, PHOSPHATE ION, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
6MC2
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BU of 6mc2 by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
Descriptor: DNA (5'-D(*CP*GP*TP*AP*AP*GP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2018-08-30
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
7MPM
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BU of 7mpm by Molmil
Bartonella henselae NrnC bound to pAA
Descriptor: 5'-phosphorylated AA, NanoRNase C
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2021-05-04
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
7OOL
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BU of 7ool by Molmil
Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M.
Deposit date:2021-05-28
Release date:2021-11-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression.
J.Mol.Biol., 433, 2021
7MPN
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BU of 7mpn by Molmil
Bartonella henselae NrnC bound to pGC
Descriptor: 5'-phosphorylated GC, NanoRNase C
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2021-05-04
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
5TCW
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BU of 5tcw by Molmil
ACC oxidase complex with nickel and acetate
Descriptor: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION
Authors:Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
Deposit date:2016-09-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
5FLD
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BU of 5fld by Molmil
Crystal structure of raptor adenovirus 1 fibre head, beta-hairpin deleted form
Descriptor: CHLORIDE ION, FIBER PROTEIN
Authors:Nguyen, T.H, van Raaij, M.J.
Deposit date:2015-10-23
Release date:2016-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of raptor adenovirus 1 fibre head and role of the beta-hairpin in siadenovirus fibre head domains.
Virol. J., 13, 2016
7P8Z
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BU of 7p8z by Molmil
Short wilavidin biotin complex
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BIOTIN, ...
Authors:Avraham, O, Livnah, O.
Deposit date:2021-07-23
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
8TU3
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BU of 8tu3 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
Descriptor: 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
7MPQ
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BU of 7mpq by Molmil
Bartonella henselae NrnC cleaving pGG in the presence of Mn2+
Descriptor: 5'-phosphorylated GG, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2021-05-04
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
7U0W
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BU of 7u0w by Molmil
Structure of myxoma virus M062 protein variant MAV
Descriptor: Probable host range protein 2-1
Authors:O'Byrne, P, Khan, A.R.
Deposit date:2022-02-19
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Structure of myxoma virus M062 protein variant MAV
To Be Published
5FTA
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BU of 5fta by Molmil
Crystal structure of the N-terminal BTB domain of human KCTD10
Descriptor: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION
Authors:Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2016-01-12
Release date:2016-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
5BYL
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BU of 5byl by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPCP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2015-06-10
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
8TZ0
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BU of 8tz0 by Molmil
Structure of a bacterial E1-E2-Ubl complex (form 1)
Descriptor: E1(BilD), E2(BilB), Ubl(BilA), ...
Authors:Ye, Q, Chambers, L.R, Corbett, K.D.
Deposit date:2023-08-26
Release date:2024-06-12
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A eukaryotic-like ubiquitination system in bacterial antiviral defence.
Nature, 631, 2024
8QCK
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BU of 8qck by Molmil
Crystal structure of mycothiol disulfide reductase Mtr from Mycobacterium smegmatis
Descriptor: Pyridine nucleotide-disulfide oxidoreductase dimerization region
Authors:Gutierrez-Fernandez, J, Hammerstad, M, Hersleth, H.-P.
Deposit date:2023-08-27
Release date:2024-03-13
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria.
Acta Crystallogr D Struct Biol, 80, 2024
7U0V
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BU of 7u0v by Molmil
Structure of myxoma virus M062 protein variant Lau
Descriptor: NICKEL (II) ION, Probable host range protein 2-1
Authors:O'Byrne, P, Khan, A.R.
Deposit date:2022-02-19
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of myxoma virus M062 protein variant MAV
To Be Published
7U01
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BU of 7u01 by Molmil
Structure of CD148 fibronectin type III domain 2
Descriptor: Receptor-type tyrosine-protein phosphatase eta
Authors:Zhou, D, Zhu, J.
Deposit date:2022-02-17
Release date:2023-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.297079 Å)
Cite:Structure of CD148 fibronectin type III domain 1 and 2
To Be Published
7TQG
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BU of 7tqg by Molmil
Crystal Structure of IOMA Fab inferred germline
Descriptor: IOMA iGL Fab Heavy Chain, IOMA iGL Fab Light Chain
Authors:Gristick, H.B, Bjorkman, P.J.
Deposit date:2022-01-26
Release date:2023-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:CD4 binding site immunogens elicit heterologous anti-HIV-1 neutralizing antibodies in transgenic and wild-type animals.
Sci Immunol, 8, 2023

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數據於2024-10-30公開中

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