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6EAG
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BU of 6eag by Molmil
CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol, D(-)-TARTARIC ACID, ...
著者Battles, M.B, McLellan, J.S.
登録日2018-08-03
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance
To be published
6EAN
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BU of 6ean by Molmil
CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT F488I STABILIZED IN THE PREFUSION STATE
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S.
登録日2018-08-03
公開日2019-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance
To be published
6I01
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Structure of human D-glucuronyl C5 epimerase in complex with substrate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y.
登録日2018-10-24
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
8U2W
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BU of 8u2w by Molmil
Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (NADP bound)
分子名称: Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (NADP bound)
To be published
6E2H
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BU of 6e2h by Molmil
Crystal structure of human Ash2L (SPRY domain and SDI motif) in complex with full length DPY-30
分子名称: Protein dpy-30 homolog, Set1/Ash2 histone methyltransferase complex subunit ASH2
著者Joshi, M, Brunzelle, J.S, Couture, J.F.
登録日2018-07-11
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Structural Analysis of the Ash2L/Dpy-30 Complex Reveals a Heterogeneity in H3K4 Methylation.
Structure, 26, 2018
8U2O
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Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995
分子名称: CHLORIDE ION, GLYCEROL, N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995
To be published
6HDY
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BU of 6hdy by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with S3-HB-AMP
分子名称: (3S)-3-HYDROXYBUTANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, ...
著者Zahn, M, Rohwerder, T, Strater, N.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
8U94
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Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (ADP Bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Dephospho-CoA kinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (ADP Bound)
To be published
8U99
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Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (PLP-Serine adduct)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cystathionine beta-lyase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (PLP-Serine adduct)
To be published
6HE6
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BU of 6he6 by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with dodecane-trimethylamine
分子名称: Cell division protein FtsX, DODECANE-TRIMETHYLAMINE
著者Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A.
登録日2018-08-20
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
6EBS
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BU of 6ebs by Molmil
Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate
分子名称: Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Reis, R.A.G, Pinheiro, M.P, de Souza, A.L, Hunter, W.N, Nonato, M.C.
登録日2018-08-07
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate
To Be Published
8U2P
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BU of 8u2p by Molmil
Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound)
To be published
8U2X
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BU of 8u2x by Molmil
Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 (H235A mutant)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Uridylate-specific endoribonuclease nsp15
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 (H235A mutant)
To be published
7OA5
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BU of 7oa5 by Molmil
RUVA COMPLEXED TO A HOLLIDAY JUNCTION.
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*AP*GP*TP*TP*CP*GP*C)-3'), DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*AP*CP*T)-3'), ...
著者Roe, S.M, Pearl, L.H.
登録日2021-04-19
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Crystal structure of an octameric RuvA-Holliday junction complex
Molecular Cell, 2, 1998
8U93
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BU of 8u93 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (PEG bound)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (PEG bound)
To be published
8U9A
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BU of 8u9a by Molmil
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound)
分子名称: 2,3-DIHYDROXY-BENZOIC ACID, 2,3-dihydroxybenzoate-2,3-dehydrogenase, CHLORIDE ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (DBH bound)
To be published
6HFK
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BU of 6hfk by Molmil
Human dihydroorotase mutant F1563L co-crystallized with carbamoyl aspartate at pH 6.5
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.459144 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
8U2S
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BU of 8u2s by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form)
分子名称: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CACODYLATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A single Leishmania adenylate forming enzyme of the ANL superfamily generates both acetyl- and acetoacetyl-CoA.
J.Biol.Chem., 2024
8U8W
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BU of 8u8w by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
分子名称: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
To be published
6ECC
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BU of 6ecc by Molmil
Vlm2 thioesterase domain wild type structure 2
分子名称: Vlm2
著者Alonzo, D.A, Schmeing, T.M.
登録日2018-08-07
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
6ECK
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Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, CITRATE ANION, ...
著者Padyana, A, Tong, S.
登録日2018-08-08
公開日2019-12-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production.
Cell Rep, 29, 2019
8U97
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Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
分子名称: Dephospho-CoA kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
To be published
8UC2
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Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid
分子名称: 1,2-ETHANEDIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, BENZOIC ACID, ...
著者Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.
登録日2023-09-25
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 63, 2024
6HG6
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Clostridium beijerinckii aldo-keto reductase Cbei_3974 with NADPH
分子名称: 1,2-ETHANEDIOL, L-glyceraldehyde 3-phosphate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Scott, A.F, Cresser-Brown, J, Rizkallah, P.J, Jin, Y, Allemann, R.K.
登録日2018-08-22
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure and Biophysical Analysis of Furfural-Detoxifying Aldehyde Reductase from Clostridium beijerinckii.
Appl.Environ.Microbiol., 85, 2019
6H8J
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1.45 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPTO
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Ciurli, S.
登録日2018-08-02
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Insights into Urease Inhibition by N-( n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach.
J.Agric.Food Chem., 67, 2019

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件を2024-11-06に公開中

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