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8FX6
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Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
分子名称: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8FG4
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HRAS R97L Crystal Form 1
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Fetics, S, Johnson, C.W, Mattos, C.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8FAB
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CRYSTAL STRUCTURE OF THE FAB FRAGMENT FROM THE HUMAN MYELOMA IMMUNOGLOBULIN IGG HIL AT 1.8 ANGSTROMS RESOLUTION
分子名称: IGG1-LAMBDA HIL FAB (HEAVY CHAIN), IGG1-LAMBDA HIL FAB (LIGHT CHAIN)
著者Saul, F.A, Poljak, R.J.
登録日1992-03-23
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten.
Biochemistry, 30, 1991
7JFR
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Auristatin bound to tubulin
分子名称: Auristatin, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Moquist, P.N, Waight, A.
登録日2020-07-17
公開日2020-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Auristatins with High Bystander and Cytotoxic Activities in Drug Efflux-positive Tumor Models.
Mol.Cancer Ther., 20, 2021
7K43
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SARS-CoV-2 spike in complex with the S2M11 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab fragment (heavy chain), ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-10-07
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K5Z
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Crystal Structure of Argininosuccinate synthase from Legionella pneumophila Philadelphia 1 in complex with ANPPNP and a substrate analogue Arginine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-17
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Argininosuccinate synthase from Legionella pneumophila Philadelphia 1 in complex with ANPPNP and a substrate analogue Arginine
to be published
8FX7
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Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
分子名称: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
7JTM
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CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST
分子名称: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者Sack, J.S.
登録日2020-08-18
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
8GI4
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BU of 8gi4 by Molmil
Crystal structure of human LIMK2 PDZ domain
分子名称: LIM domain kinase 2
著者Casanova Sepulveda, G, Boggon, T.J.
登録日2023-03-13
公開日2023-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Autoregulation of the LIM kinases by their PDZ domain.
Nat Commun, 14, 2023
7K3Q
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BU of 7k3q by Molmil
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
分子名称: 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ...
著者Snell, G, Czudnochowski, N, Ng, C.
登録日2020-09-12
公開日2020-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K6R
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BU of 7k6r by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7JZJ
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BU of 7jzj by Molmil
Crystal structure demonstrating CTD-CTD interactions of Zaire Ebola virus VP40 dimer
分子名称: Matrix protein VP40, PENTAETHYLENE GLYCOL
著者Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
登録日2020-09-02
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
7K46
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Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
分子名称: 1,2-ETHANEDIOL, Aspartate carbamoyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
to be published
8GCN
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BU of 8gcn by Molmil
CRYO-EM STRUCTURE OF IMPORTIN ALPHA1/BETA HETERODIMER
分子名称: Importin subunit alpha-1, Importin subunit beta-1
著者Ko, Y, Cingolani, G.
登録日2023-03-02
公開日2024-03-06
最終更新日2024-09-18
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core.
Sci Adv, 10, 2024
7KAC
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BU of 7kac by Molmil
Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}-5-(1,3,4-OXADIAZOL-2-YL)PYRIMIDIN-2-YL]AMINO}-3,3-DIMETHYL-2-BENZOFURAN-1(3H)-ONE
分子名称: 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one, Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1
著者Sheriff, S.
登録日2020-09-30
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Using yeast surface display to engineer a soluble and crystallizable construct of hematopoietic progenitor kinase 1 (HPK1).
Acta Crystallogr.,Sect.F, 77, 2021
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7K6S
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BU of 7k6s by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174)
分子名称: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Chan, A, Schonbrunn, E.
登録日2020-09-21
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7KDW
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BU of 7kdw by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052)
分子名称: 1,2-ETHANEDIOL, Nucleosome-remodeling factor subunit BPTF, cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
著者Chan, A, Schonbrunn, E.
登録日2020-10-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic and Biomolecular Chemistry, 18(27), 2020
8G46
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Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
分子名称: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
著者Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
登録日2023-02-08
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
8G6W
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BU of 8g6w by Molmil
Structure of WT E.coli 70S ribosome complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site ortho-aminobenzoic acid charged NH-tRNAPhe
分子名称: 16S rRNA, 2-AMINO-BENZAMIDE, 23S rRNA, ...
著者Majumdar, C, Cate, J.H.D.
登録日2023-02-16
公開日2023-04-05
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.02 Å)
主引用文献Aminobenzoic Acid Derivatives Obstruct Induced Fit in the Catalytic Center of the Ribosome.
Acs Cent.Sci., 9, 2023
8G6X
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BU of 8g6x by Molmil
Structure of WT E.coli ribosome 50S subunit with complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site meta-aminobenzoic acid charged NH-tRNAPhe
分子名称: 23S rRNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), 3-aminobenzamide, ...
著者Majumdar, C, Cate, J.H.D.
登録日2023-02-16
公開日2023-03-22
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Aminobenzoic Acid Derivatives Obstruct Induced Fit in the Catalytic Center of the Ribosome.
Acs Cent.Sci., 9, 2023
8G6Y
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BU of 8g6y by Molmil
Structure of WT E.coli ribosome 50S subunit with complexed with mRNA, P-site fMet-NH-tRNAfMet and A-site 3-aminopyridine-4-carboxylic acid charged NH-tRNAPhe
分子名称: 23S rRNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), 3-aminopyridine-4-carboxamide, ...
著者Majumdar, C, Cate, J.H.D.
登録日2023-02-16
公開日2023-04-05
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Aminobenzoic Acid Derivatives Obstruct Induced Fit in the Catalytic Center of the Ribosome.
Acs Cent.Sci., 9, 2023
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7JZT
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BU of 7jzt by Molmil
Low resolution crystal structure of Zaire Ebola virus VP40 in space group P6422
分子名称: Matrix protein VP40
著者Norris, M.J, Bornholdt, Z.A, Saphire, E.O.
登録日2020-09-02
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Ebola and Marburg virus matrix layers are locally ordered assemblies of VP40 dimers.
Elife, 9, 2020
7K3U
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X-ray crystallographic structure model of Lactococcus lactis prolidase mutant R293S
分子名称: Aminopeptidase P family protein, GLYCEROL, MANGANESE (II) ION
著者Xu, S, Grochulski, P, Tanaka, T.
登録日2020-09-13
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships.
Biochim Biophys Acta Proteins Proteom, 1865, 2017

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