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5IOP
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Cetuximab Fab in complex with 4-bromophenylalanine meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-08
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5WNZ
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BU of 5wnz by Molmil
DNA polymerase beta substrate complex with incoming 5-FodCTP
分子名称: 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ...
著者Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D.
登録日2017-08-01
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
5WN2
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BU of 5wn2 by Molmil
APE1 exonuclease substrate complex with phosphoglycolate
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, CALCIUM ION, ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2017-07-31
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
5WO0
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BU of 5wo0 by Molmil
DNA polymerase beta substrate complex with incoming 5-FodUTP
分子名称: 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ...
著者Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D.
登録日2017-08-01
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
5ILM
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BU of 5ilm by Molmil
H64A sperm whale myoglobin with a Fe-chlorophenyl moiety
分子名称: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2016-03-04
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5ILR
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BU of 5ilr by Molmil
H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety
分子名称: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2016-03-04
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
7JXO
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BU of 7jxo by Molmil
Triangular trimer of beta-hairpins derived from Abeta17-36 with an F20Cha mutation
分子名称: Amyloid-beta 17-36 peptide
著者Kreutzer, A.G, Haerianardakani, S, Nowick, J.S.
登録日2020-08-27
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Phenylalanine Mutation to Cyclohexylalanine Facilitates Triangular Trimer Formation by beta-Hairpins Derived from A beta.
J.Am.Chem.Soc., 142, 2020
7QCZ
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BU of 7qcz by Molmil
Structure of the orange carotenoid protein from Planktothrix agardhii binding canthaxanthin in the C2 space group
分子名称: Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
著者Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
登録日2021-11-25
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
7JVB
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BU of 7jvb by Molmil
Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20
分子名称: CACODYLATE ION, Nanobody Nb20, Spike protein S1
著者Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y.
登録日2020-08-20
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.287 Å)
主引用文献Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2.
Science, 370, 2020
7JWF
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BU of 7jwf by Molmil
Crystal structure of PdGH110B D344N in complex with alpha-(1,3)-galactobiose
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Hettle, A.G, Boraston, A.B.
登録日2020-08-25
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
7K12
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BU of 7k12 by Molmil
ACMSD in complex with diflunisal
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ...
著者Yang, Y, Liu, A.
登録日2020-09-07
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
5ITF
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BU of 5itf by Molmil
Cetuximab Fab in complex with 2-bromophenylalanine meditope variant
分子名称: Cetuximab Fab, heavy chain, light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-03-16
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5VQG
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BU of 5vqg by Molmil
Crystal structure of the extended Tudor domain from BmPAPI
分子名称: Tudor and KH domain-containing protein homolog
著者Hubbard, P.A, Pan, X, Ohtaki, A, McNally, R, Honda, S, Kirino, Y, Murali, R.
登録日2017-05-08
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of the Tudor domain from the Bombyx homolog of Drosophila PAPI: Implication to piRNA biogenesis
To Be Published
7F1D
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BU of 7f1d by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
7TI9
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BU of 7ti9 by Molmil
Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2
分子名称: CHLORIDE ION, GLYCEROL, Papain-like protease nsp3
著者Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-01-13
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2
To Be Published
7TLM
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BU of 7tlm by Molmil
Structure of Atopobium parvulum SufS
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Karunakaran, G, Couture, J.F.
登録日2022-01-18
公開日2022-02-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
7TLQ
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BU of 7tlq by Molmil
Structure of Atopobium parvulum SufS C375S
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Karunakaran, G, Couture, J.F.
登録日2022-01-18
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
7TLR
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BU of 7tlr by Molmil
Structure of Atopobium parvulum SufS A34Y mutant
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Karunakaran, G, Couture, J.F.
登録日2022-01-18
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
7TLP
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BU of 7tlp by Molmil
Structure of Atopobium parvulum SufS K235R
分子名称: Cysteine desulfurase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
著者Karunakaran, G, Couture, J.F.
登録日2022-01-18
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
7Q6O
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BU of 7q6o by Molmil
Structure of WrbA from Yersinia pseudotuberculosis in C2221
分子名称: CHLORIDE ION, NAD(P)H dehydrogenase (quinone)
著者Gabrielsen, M, Beckham, K.S.H, Roe, A.J.
登録日2021-11-08
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
5Y06
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BU of 5y06 by Molmil
Structural characterization of msmeg_4306 from Mycobacterium smegmatis
分子名称: GLYCEROL, ZINC ION, msmeg_4306
著者Kumar, A, Karthikeyan, S.
登録日2017-07-14
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Crystal structure of the MSMEG_4306 gene product from Mycobacterium smegmatis
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7Q6M
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BU of 7q6m by Molmil
Structure of WrbA from Yersinia pseudotuberculosis in P1
分子名称: CHLORIDE ION, NAD(P)H dehydrogenase (quinone)
著者Gabrielsen, M, Beckham, K.S.H, Roe, A.J.
登録日2021-11-08
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
5Y1W
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BU of 5y1w by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N with Magnesium bound to active site Zinc
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Marapaka, A.K, Addlagatta, A.
登録日2017-07-21
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of Plasmodium falciparum aminopeptidase N with Magnesium bound to active site Zinc
To Be Published
5IZZ
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BU of 5izz by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with metahydroxyphenylacetate, thermal exchange of ligand
分子名称: 3-HYDROXYPHENYLACETATE, DI(HYDROXYETHYL)ETHER, TRAP TRANSPORTER SOLUTE BINDING PROTEIN
著者Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C.
登録日2016-03-26
公開日2017-01-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with metahydroxyphenylacetate, thermal exchange of ligand
To be published

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件を2024-08-21に公開中

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