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5FEH
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BU of 5feh by Molmil
Crystal structure of PCT64_35B, a broadly neutralizing anti-HIV antibody
分子名称: 1,2-ETHANEDIOL, PCT64_26 Fab heavy chain, PCT64_26 Fab light chain, ...
著者Murrell, S, Wilson, I.A.
登録日2015-12-17
公開日2017-08-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献HIV Envelope Glycoform Heterogeneity and Localized Diversity Govern the Initiation and Maturation of a V2 Apex Broadly Neutralizing Antibody Lineage.
Immunity, 47, 2017
5F89
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BU of 5f89 by Molmil
Structure of the Unliganded Fab from HIV-1 Neutralising Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface
分子名称: CAP248-2B Heavy Chain, CAP248-2B Light Chain
著者Wibmer, C.K, Gorman, J, Kwong, P.D.
登録日2015-12-09
公開日2016-12-21
最終更新日2017-03-29
実験手法X-RAY DIFFRACTION (2.7842 Å)
主引用文献Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape.
PLoS Pathog., 13, 2017
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
7SQD
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BU of 7sqd by Molmil
Cryo-EM structure of the Achromobacter flagellar filament
分子名称: Flagellin
著者Kreutzberger, M.A, Wang, F, Egelman, E.H.
登録日2021-11-05
公開日2022-03-16
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
5EIV
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BU of 5eiv by Molmil
Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W.
登録日2015-10-30
公開日2015-11-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.414 Å)
主引用文献Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
1D4N
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BU of 1d4n by Molmil
HUMAN SERUM TRANSFERRIN
分子名称: CARBONATE ION, FE (III) ION, TRANSFERRIN
著者Yang, H.-W, MacGillivray, R.T.A, Chen, J, Luo, Y, Wang, Y, Brayer, G.D, Mason, A, Woodworth, R.C, Murphy, M.E.P.
登録日1999-10-04
公開日2000-03-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of two mutants (K206Q, H207E) of the N-lobe of human transferrin with increased affinity for iron.
Protein Sci., 9, 2000
5F9O
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BU of 5f9o by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.09 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CH235.09 Light chain, ...
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2015-12-10
公開日2016-03-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
分子名称: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-01-18
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
1D3K
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BU of 1d3k by Molmil
HUMAN SERUM TRANSFERRIN
分子名称: CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN
著者Yang, H.-W, MacGillivray, R.T.A, Chen, J, Luo, Y, Wang, Y, Brayer, G.D, Mason, A, Woodworth, R.C, Murphy, M.E.P.
登録日1999-09-29
公開日2000-03-01
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of two mutants (K206Q, H207E) of the N-lobe of human transferrin with increased affinity for iron.
Protein Sci., 9, 2000
7PPX
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BU of 7ppx by Molmil
ATAD2 in complex with FragLite3
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M.
登録日2021-09-15
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QHR
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BU of 7qhr by Molmil
Unexpected imidazole coordination to dirhodium tetraacetate complex in a protein environment: insights from X-ray crystallography and quantum chemistry
分子名称: Ribonuclease pancreatic, cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, ...
著者Loreto, D, Merlino, A.
登録日2021-12-13
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Inorg.Chem., 61, 2022
7QUU
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BU of 7quu by Molmil
Red1-Iss10 complex
分子名称: NURS complex subunit red1, Uncharacterized protein C7D4.14c
著者Mackereth, C.D, Kadlec, J, Laroussi, H.
登録日2022-01-18
公開日2022-09-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex.
Nat Commun, 13, 2022
7QVS
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BU of 7qvs by Molmil
Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP
分子名称: NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
著者Rahimova, R, Gelin, M, Labesse, G, Lionne, C.
登録日2022-01-23
公開日2022-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
7QY5
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BU of 7qy5 by Molmil
Crystal structure of the S.pombe Ars2-Red1 complex.
分子名称: NURS complex subunit pir2, RNA elimination defective protein Red1, ZINC ION
著者Foucher, A.E, Kadlec, J.
登録日2022-01-27
公開日2022-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex.
Nat Commun, 13, 2022
7QU7
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BU of 7qu7 by Molmil
ATAD2 in complex with FragLite16
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QWO
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BU of 7qwo by Molmil
ATAD2 in complex with FragLite6
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-25
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QX1
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BU of 7qx1 by Molmil
ATAD2 in complex with FragLite7
分子名称: 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-26
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QXT
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BU of 7qxt by Molmil
ATAD2 in complex with FragLite10
分子名称: 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-27
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYL
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BU of 7qyl by Molmil
ATAD2 in complex with FragLite23
分子名称: 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUK
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BU of 7quk by Molmil
ATAD2 in complex with FragLite1
分子名称: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUM
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BU of 7qum by Molmil
ATAD2 in complex with FragLite2
分子名称: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-18
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
分子名称: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-31
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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BU of 7qyk by Molmil
ATAD2 in complex with FragLite18
分子名称: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7REC
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BU of 7rec by Molmil
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC
分子名称: 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION
著者McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J.
登録日2021-07-12
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RFO
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SeMet Tailspike protein 4 (TSP4) phage CBA120, residues 1-335, obtained in the presence of LiSO4
分子名称: Tailspike protein
著者Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
登録日2021-07-14
公開日2022-02-23
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022

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