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2WWC
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BU of 2wwc by Molmil
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand
分子名称: 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL
著者Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L.
登録日2009-10-22
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
8P0O
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BU of 8p0o by Molmil
Crystal structure of AaNGT complexed to UDP-Gal
分子名称: 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE
著者Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
登録日2023-05-10
公開日2023-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
8P0Q
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Crystal structure of AaNGT complexed to UDP and a peptide
分子名称: Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE
著者Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
登録日2023-05-10
公開日2023-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
8P0P
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BU of 8p0p by Molmil
Crystal structure of AaNGT complexed to UDP-2F-Glucose
分子名称: Adhesin, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
著者Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
登録日2023-05-10
公開日2023-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
6O1S
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BU of 6o1s by Molmil
Structure of human plasma kallikrein protease domain with inhibitor
分子名称: 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ...
著者Partridge, J.R, Choy, R.M.
登録日2019-02-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
8EOL
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BU of 8eol by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM SHEWANELLA DENITRIFICANS OS217 AT 2.17 A RESOLUTION
分子名称: GLUCOSAMINE-6-PHOSPHATE DEAMINASE
著者Rodriguez-Hernandez, A, Marcos-Viquez, J, Rodriguez-Romero, A, Bustos-Jaimes, I.
登録日2022-10-03
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
8EYM
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BU of 8eym by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM SHEWANELLA DENITRIFICANS OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AND N-ACETYLGLUCOSAMINE-6-PHOSPHATE AT 2.31 A RESOLUTION
分子名称: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLUCOSAMINE-6-PHOSPHATE DEAMINASE
著者Rodriguez-Hernandez, A, Marcos-Viquez, J, Rodriguez-Romero, A, Bustos-Jaimes, I.
登録日2022-10-27
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.311 Å)
主引用文献Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
8FDB
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BU of 8fdb by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 A RESOLUTION.
分子名称: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLYCEROL, Glutamine-fructose-6-phosphate transaminase (Isomerizing), ...
著者Rodriguez-Romero, A, Rodriguez-Hernandez, A, Marcos-Viquez, J, Bustos-Jaimes, I.
登録日2022-12-02
公開日2023-05-17
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
6AQ4
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BU of 6aq4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA
分子名称: CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-18
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ARB
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BU of 6arb by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A
分子名称: COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-22
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AS5
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CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A
分子名称: ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-23
公開日2018-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CJ4
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BU of 6cj4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETOACETATE
分子名称: ACETATE ION, ACETOACETIC ACID, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2018-02-26
公開日2018-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CJ3
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BU of 6cj3 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND PYRUVATE
分子名称: ACETATE ION, Citrate lyase subunit beta-like protein, MAGNESIUM ION, ...
著者Fedorov, E.V, Fedorov, A.A, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2018-02-26
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CHU
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BU of 6chu by Molmil
CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETATE
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2018-02-23
公開日2018-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ZPB
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BU of 7zpb by Molmil
Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2022-04-27
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7ZW3
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BU of 7zw3 by Molmil
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Binda, C, Gottinger, A.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
6TNP
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BU of 6tnp by Molmil
Crystal structure of the ScFv-5E5 in complex with a Tn glycopeptide
分子名称: (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide, Heavy chain of our ScFv-5E5, Light chain of our ScFv-5E5
著者Macias-Leon, J, Corzana, F, Hurtado-Guerrero, R.
登録日2019-12-09
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural characterization of an unprecedented lectin-like antitumoral anti-MUC1 antibody.
Chem.Commun.(Camb.), 56, 2020
8AY1
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BU of 8ay1 by Molmil
Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ...
著者Hurtado-Guerrero, R, Merino, P.
登録日2022-09-01
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2.
Angew.Chem.Int.Ed.Engl., 61, 2022
8SVG
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BU of 8svg by Molmil
Ubiquitin variant i53 in complex with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVI
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BU of 8svi by Molmil
Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8T2D
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BU of 8t2d by Molmil
Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53
著者Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A.
登録日2023-06-05
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVH
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BU of 8svh by Molmil
Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain
分子名称: Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R
著者Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
8SVJ
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BU of 8svj by Molmil
Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain
分子名称: GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH
著者Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A.
登録日2023-05-16
公開日2024-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
登録日2014-08-11
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
7UVQ
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Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs
分子名称: Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230
著者Ivanochko, D, Julien, J.P.
登録日2022-05-02
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023

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