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8SM7
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Air-oxidized G. y4 TruffO expressed from M9 minimal medium supplemented with Fe
分子名称: Amidohydrolase 2, FE (III) ION, SODIUM ION
著者Liu, C, Rittle, J.
登録日2023-04-25
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
7RM3
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Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA
分子名称: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ...
著者Kucharska, I, Ivanochko, D, Julien, J.P.
登録日2021-07-26
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
7TZS
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BU of 7tzs by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)
分子名称: 1-(quinoxalin-6-yl)methanamine, MAGNESIUM ION, POTASSIUM ION, ...
著者Nuthanakanti, A, Serganov, A.
登録日2022-02-16
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZR
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Crystal structure of the E. coli thiM riboswitch bound to N-methyl-1-(quinoxalin-6-yl)methanamine (compound 16)
分子名称: MAGNESIUM ION, N-methyl-1-(quinoxalin-6-yl)methanamine, POTASSIUM ION, ...
著者Nuthanakanti, A, Serganov, A.
登録日2022-02-16
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
8ST5
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BU of 8st5 by Molmil
Streptococcus gordonii str. Challis Hsa bound to Neu5Ac
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, SODIUM ION, Streptococcal hemagglutinin
著者Morrison, K.M.A, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec +Unique Domains bound to Neu5Ac alpha2, 3 Gal
To Be Published
7Q0U
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Lysozyme soaked with V(IV)OSO4 and bipy
分子名称: 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7Q0V
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BU of 7q0v by Molmil
Lysozyme soaked with V(IV)OSO4 and phen
分子名称: 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7PGI
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BU of 7pgi by Molmil
NaVAb1p (bicelles)
分子名称: ACETATE ION, Ion transport protein, MAGNESIUM ION, ...
著者Lolicato, M, Arrigoni, C.
登録日2021-08-14
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.638 Å)
主引用文献Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Nat.Struct.Mol.Biol., 29, 2022
8T3L
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BU of 8t3l by Molmil
TRPV1 in nanodisc bound with 2 LPA molecules in neighboring monomers
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ...
著者Arnold, W.R, Julius, D, Cheng, Y.
登録日2023-06-07
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
7QHP
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BU of 7qhp by Molmil
Structure of I-Ag7 with a bound hybrid insulin peptide
分子名称: GLYCEROL, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Lopez-Sagaseta, J, Erausquin, E.
登録日2021-12-13
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural plasticity in I-A g7 links autoreactivity to hybrid insulin peptides in type I diabetes.
Front Immunol, 13, 2022
8QNF
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BU of 8qnf by Molmil
Crystal structure of the Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
分子名称: Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase, FORMIC ACID, GLYCEROL, ...
著者Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T.
登録日2023-09-26
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
8QU7
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BU of 8qu7 by Molmil
Crystal structure of the Plasmodium falciparum Apical membrane antigen (AMA1) in complex with single domain i-body WD34
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apical membrane antigen 1, ...
著者Maddumage, J.C, Kvansakul, M.
登録日2023-10-14
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A broadly cross-reactive i-body to AMA1 potently inhibits blood and liver stages of Plasmodium parasites
Res Sq, 2024
8POB
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BU of 8pob by Molmil
Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3
分子名称: 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ...
著者Alsalman, Z, Girard, E.
登録日2023-07-04
公開日2024-07-10
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Chemistry, 30, 2024
8PNX
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BU of 8pnx by Molmil
Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ...
著者Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O.
登録日2023-07-03
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
分子名称: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2022-05-09
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
7RHS
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BU of 7rhs by Molmil
Cryo-EM structure of apo-state of human CNGA3/CNGB3 channel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cyclic nucleotide-gated cation channel alpha-3, Cyclic nucleotide-gated cation channel beta-3, ...
著者Zheng, X, Yang, J.
登録日2021-07-18
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structure of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 29, 2022
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
分子名称: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
著者Whitefield, C, Hong, N.S, Jackson, C.J.
登録日2021-07-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
1D4P
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BU of 1d4p by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR
分子名称: 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-10-04
公開日1999-10-20
最終更新日2021-04-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor.
Protein Sci., 6, 1997
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
7RBF
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BU of 7rbf by Molmil
Human DNA polymerase beta crosslinked binary complex - B
分子名称: 1,2-ETHANEDIOL, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DI(HYDROXYETHYL)ETHER, ...
著者Reed, A.J, Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
7RBE
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BU of 7rbe by Molmil
Human DNA polymerase beta crosslinked binary complex - A
分子名称: 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CITRIC ACID, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Reed, A.J, Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RBG
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BU of 7rbg by Molmil
Human DNA polymerase beta crosslinked ternary complex 1
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ...
著者Reed, A.J, Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023

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件を2024-07-17に公開中

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