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8DKF
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BU of 8dkf by Molmil
Antibody DH1030.1 Fab fragment
分子名称: DH1030.1 Heavy chain, DH1030.1 Light chain
著者Gobeil, S, Acharya, P.
登録日2022-07-05
公開日2023-07-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DH1030.1 glycan reactive Ab
To Be Published
6B3N
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BU of 6b3n by Molmil
Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
分子名称: NleG5-1
著者Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-09-22
公開日2017-11-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
6R9Z
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BU of 6r9z by Molmil
3D NMR solution structure of ligand peptide (Ac)EVNPPVP of Pro-Pro endopeptidase-1
分子名称: ACE-GLU-VAL-ASN-PRO-PRO-VAL-PRO-NH2
著者Diaz, D.
登録日2019-04-04
公開日2019-06-19
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
4X8X
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BU of 4x8x by Molmil
Crystal structure of Dscam1 isoform 1.9, N-terminal four Ig domains
分子名称: Down Syndrome cell adhesion molecule isoform 1.9, GLYCEROL, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Q.
登録日2014-12-11
公開日2015-12-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
分子名称: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
著者Read, J.A.
登録日2019-04-05
公開日2019-11-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
分子名称: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
著者Zhao, B, Amporndanai, K, Fesik, S.W.
登録日2023-10-11
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
7RXN
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BU of 7rxn by Molmil
STRUCTURE OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.5 A RESOLUTION
分子名称: FE (III) ION, RUBREDOXIN, SULFATE ION
著者Adman, E.T, Sieker, L.C, Jensen, L.H.
登録日1990-05-11
公開日1991-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of rubredoxin from Desulfovibrio vulgaris at 1.5 A resolution.
J.Mol.Biol., 217, 1991
7STD
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BU of 7std by Molmil
SCYTALONE DEHYDRATASE PLUS INHIBITOR 4
分子名称: ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-11
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
7PUG
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BU of 7pug by Molmil
GH115 alpha-1,2-glucuronidase in complex with xylopentaose
分子名称: CALCIUM ION, CHLORIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
著者Wilkens, C, Morth, J.P, Polikarpov, I.
登録日2021-09-29
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Acta Crystallogr D Struct Biol, 78, 2022
8S0V
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BU of 8s0v by Molmil
Crystal structure of Cryptosporidium parvum - Trypanosoma cruzi mutant lysyl tRNA synthetase in complex with inhibitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, LYSINE, ...
著者Dawson, A, Wyllie, S.
登録日2024-02-14
公開日2025-03-05
最終更新日2025-07-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Antitrypanosomal quinazolines targeting lysyl-tRNA synthetase show partial efficacy in a mouse model of acute Chagas disease.
Sci Transl Med, 17, 2025
7S43
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BU of 7s43 by Molmil
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
分子名称: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
著者Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
登録日2021-09-08
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
8V9P
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BU of 8v9p by Molmil
Proteus vulgaris tryptophan indole-lyase complexed with (3S)-dioxindolyl-L-alanine
分子名称: (2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Phillips, R.S.
登録日2023-12-08
公開日2023-12-20
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Snapshots of Proteus vulgaris Tryptophan Indole-Lyase Reveal Insights into the Catalytic Mechanism.
Acs Catalysis, 14, 2024
7S41
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BU of 7s41 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-glucose
分子名称: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
著者Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
登録日2021-09-08
公開日2021-09-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7S42
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BU of 7s42 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose
分子名称: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
著者Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
登録日2021-09-08
公開日2021-09-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
9AR1
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BU of 9ar1 by Molmil
Structure of Epimerase Mth373 bound to uridine-5'-diphosphate-xylopyranose
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S.
登録日2024-02-22
公開日2025-01-29
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural characterisation of nucleotide sugar short-chain dehydrogenases/reductases from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus Delta H.
Febs J., 2025
7QA4
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BU of 7qa4 by Molmil
Crystal structure of stabilized H3N2 A/Hong Kong/1/1968 Hemagglutinin at 2.2 Angstrom
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, Hemagglutinin, ...
著者Milder, F.J, Langedijk, J.P.M.
登録日2021-11-16
公開日2022-02-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Universal stabilization of the influenza hemagglutinin by structure-based redesign of the pH switch regions.
Proc.Natl.Acad.Sci.USA, 119, 2022
6F86
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BU of 6f86 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide
分子名称: 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
著者Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
登録日2017-12-12
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
7NTK
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BU of 7ntk by Molmil
PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ...
著者Javorsky, A, Kvansakul, M.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
9HT3
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BU of 9ht3 by Molmil
Crystal structure of PA0884, the SBP component of a Pseudomonas aeruginosa PAO1 Tripartite ATP-independent Periplasmic (TRAP) transporter, complexed with itaconate
分子名称: 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, GLYCEROL, ...
著者Herman, R, Mehboob, J, Elston, R, Afolabi, H, Kinniment-Williams, B.E, Wilkinson, A.J, Thomas, G.H.
登録日2024-12-19
公開日2025-09-10
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Itaconate utilisation by the human pathogen Pseudomonas aeruginosa requires uptake via the IctPQM TRAP transporter.
Biochem.J., 482, 2025
1E7S
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BU of 1e7s by Molmil
GDP 4-keto-6-deoxy-D-mannose epimerase reductase K140R
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ...
著者Rosano, C, Zuccotti, S, Izzo, G, Bolognesi, M.
登録日2000-09-07
公開日2000-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the Catalytic Mechanism of Gdp-4-Keto-6-Deoxy-D-Mannose Epimerase/Reductase by Kinetic and Crystallographic Characterization of Site-Specific Mutants
J.Mol.Biol., 303, 2000
8S13
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BU of 8s13 by Molmil
apo c-KIT-wt kinase domain
分子名称: 1,2-ETHANEDIOL, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Kleinboelting, S.B, Rauh, D, Mueller, M.P.
登録日2024-02-15
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献apo c-KIT-wt kinase domain
To Be Published
6Q89
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BU of 6q89 by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-12-14
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6IEM
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BU of 6iem by Molmil
Argininosuccinate lyase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, Argininosuccinate lyase, ...
著者Paul, A, Mishra, A, Surolia, A, Vijayan, M.
登録日2018-09-14
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism.
IUBMB Life, 71, 2019
8B5D
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BU of 8b5d by Molmil
Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ABC transporter permease subunit, DI(HYDROXYETHYL)ETHER, ...
著者Whittaker, J, Guskov, A.
登録日2022-09-22
公開日2023-10-04
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the Ligand Binding and Conformational Dynamics of the Substrate-Binding Domain 1 of the ABC Transporter GlnPQ.
J.Phys.Chem.B, 128, 2024
4RZ7
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BU of 4rz7 by Molmil
Crystal Structure of PVX_084705 with bound PCI32765
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ...
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC)
登録日2014-12-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Crystal Structure of PVX_084705 with bound PCI32765
To be Published

242842

件を2025-10-08に公開中

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