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8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GS3
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BU of 8gs3 by Molmil
Cryo-EM structure of human Neuroligin 3
Descriptor: Neuroligin-3
Authors:Zhang, H, Zhang, Z, Hou, M.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Expression and structural analysis of human neuroligin 2 and neuroligin 3 implicated in autism spectrum disorders.
Front Endocrinol, 13, 2022
8G96
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BU of 8g96 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Ornithine bound)
Descriptor: Dimodular nonribosomal peptide synthase, GLYCEROL, L-ornithine
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8GTI
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BU of 8gti by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL
Descriptor: 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1, ...
Authors:Cho, H.S, Kim, H.
Deposit date:2022-09-08
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
2YYG
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BU of 2yyg by Molmil
Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase
Descriptor: 4-hydroxyphenylacetate-3-hydroxylase, SULFATE ION
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
8G95
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BU of 8g95 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, Dimodular nonribosomal peptide synthase
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8G98
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BU of 8g98 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Lysine bound)
Descriptor: Dimodular nonribosomal peptide synthase, GLYCEROL, LYSINE
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8GTM
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BU of 8gtm by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL
Descriptor: 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1
Authors:Cho, H.S, Kim, H.
Deposit date:2022-09-08
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
8G5T
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BU of 8g5t by Molmil
Crystal structure of apo TnmK2
Descriptor: TnmK2
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2023-02-14
Release date:2023-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G5U
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BU of 8g5u by Molmil
Crystal structure of TnmK2 complexed with TNM B
Descriptor: TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2023-02-14
Release date:2023-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G97
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BU of 8g97 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (D-Ornithine bound)
Descriptor: D-ORNITHINE, Dimodular nonribosomal peptide synthase, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8G5S
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BU of 8g5s by Molmil
Crystal structure of apo TnmJ
Descriptor: TnmJ
Authors:Liu, Y.-C, Li, G, Gui, C, Shen, B.
Deposit date:2023-02-14
Release date:2023-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G6U
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BU of 8g6u by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2023-02-16
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
7JH0
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BU of 7jh0 by Molmil
Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Boreiko, S, Silva, M, Iulek, J.
Deposit date:2020-07-20
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
3HPM
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BU of 3hpm by Molmil
Oxidized dimeric PICK1 PDZ C46G mutant in complex with the carboxyl tail peptide of GluR2
Descriptor: PRKCA-binding protein,9-mer peptide of THE GLUR2 SUBUNIT
Authors:Yu, J, Shi, Y, Zhang, M.
Deposit date:2009-06-04
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox-Regulated Lipid Membrane Binding of the PICK1 PDZ Domain.
Biochemistry, 49, 2010
2YYI
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BU of 2yyi by Molmil
Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD
Descriptor: 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
7JJT
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BU of 7jjt by Molmil
Ruminococcus bromii amylase Amy5 (RBR_07800)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Alpha-amylase, ...
Authors:Cerqueira, F, Koropatkin, N.
Deposit date:2020-07-27
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The structures of the GH13_36 amylases from Eubacterium rectale and Ruminococcus bromii reveal subsite architectures that favor maltose production
Amylase, 4, 2020
8GLZ
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BU of 8glz by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide
Descriptor: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-23
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
Descriptor: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-24
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
8G6D
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BU of 8g6d by Molmil
HSV-1 Nuclear Egress Complex (SUP; UL31-R229L)
Descriptor: Nuclear egress protein 1, Virion egress protein UL34, ZINC ION
Authors:Draganova, E.B, Gonzalez Del-Pino, G.L, Heldwein, E.E.
Deposit date:2023-02-15
Release date:2024-01-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:The universal suppressor mutation restores membrane budding defects in the HSV-1 nuclear egress complex by stabilizing the oligomeric lattice.
Plos Pathog., 20, 2024
3VFG
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BU of 3vfg by Molmil
Crystal structure of monoclonal antibody 3F8 Fab fragment that binds to GD2 ganglioside
Descriptor: 3F8 Heavy Chain, 3F8 Light Chain
Authors:Ahmed, M, Goldgur, Y, Cheung, N.-K.
Deposit date:2012-01-09
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:In silico Driven Redesign of a Clinically Relevant Antibody for the Treatment of GD2 Positive Tumors.
Plos One, 8, 2013
2YYJ
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BU of 2yyj by Molmil
Crystal structure of the oxygenase component (HpaB) of 4-hydroxyphenylacetate 3-monooxygenase complexed with FAD and 4-hydroxyphenylacetate
Descriptor: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
Deposit date:2007-04-30
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
8GEN
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BU of 8gen by Molmil
E. eligens beta-glucuronidase bound to UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
7JJ1
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BU of 7jj1 by Molmil
Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
Descriptor: CETYL-TRIMETHYL-AMMONIUM, Cytochrome P450 51, IMIDAZOLE, ...
Authors:Zhao, B, Lamb, D.C.
Deposit date:2020-07-24
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein
To Be Published
8GEQ
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BU of 8geq by Molmil
E. eligens beta-glucuronidase bound to ceritinib-glucuronide
Descriptor: 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine, Beta-glucuronidase
Authors:Simpson, J.B, Kowalewski, M.K, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published

222415

數據於2024-07-10公開中

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