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6PR7
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BU of 6pr7 by Molmil
S. aureus dihydrofolate reductase co-crystallized with benzyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PR9
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BU of 6pr9 by Molmil
S. aureus dihydrofolate reductase co-crystallized with 1-ethylpropyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
4CL6
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BU of 4cl6 by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine
分子名称: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
著者Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2014-01-13
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
6PR8
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BU of 6pr8 by Molmil
S. aureus dihydrofoate reductase co-crystallized with 3,5-dimethylphenyl-dihydropthalazine inhibitor and NADP(H)
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
6PRA
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BU of 6pra by Molmil
S. aureus dihydrofolate reductase with NADP(H) and empty folate pocket
分子名称: Dihydrofolate reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
3D6R
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BU of 3d6r by Molmil
Structure of an avian influenza A virus NS1 protein effector domain
分子名称: Non-structural protein 1
著者Hale, B.G, Barclay, W.S, Randall, R.E, Russell, R.J.
登録日2008-05-20
公開日2008-08-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structure of an avian influenza A virus NS1 protein effector domain.
Virology, 378, 2008
3ZYC
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BU of 3zyc by Molmil
DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP
分子名称: DYNAMIN-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F.
登録日2011-08-22
公開日2011-10-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke.
Cell(Cambridge,Mass.), 147, 2011
6VUM
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BU of 6vum by Molmil
Structure of nevanimibe-bound human tetrameric ACAT1
分子名称: CHOLESTEROL, COENZYME A, OLEIC ACID, ...
著者Li, X, Long, T.
登録日2020-02-16
公開日2020-05-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structure of nevanimibe-bound tetrameric human ACAT1.
Nature, 581, 2020
2WGF
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BU of 2wgf by Molmil
Crystal structure of Mycobacterium tuberculosis C171Q KasA variant
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Luckner, S.R, Kisker, C.
登録日2009-04-17
公開日2009-07-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin
Structure, 17, 2009
3JZO
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BU of 3jzo by Molmil
Human MDMX liganded with a 12mer peptide (pDI)
分子名称: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
6VWJ
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BU of 6vwj by Molmil
Leg region of the closed conformation of the human type 1 insulin-like growth factor receptor ectodomain in complex with human insulin-like growth factor II
分子名称: Leucine-zippered human type 1 insulin-like growth factor receptor ectodomain
著者Xu, Y, Kirk, N.S, Lawrence, M.C, Croll, T.I.
登録日2020-02-19
公開日2020-05-13
最終更新日2020-07-22
実験手法ELECTRON MICROSCOPY (4.21 Å)
主引用文献How IGF-II Binds to the Human Type 1 Insulin-like Growth Factor Receptor.
Structure, 28, 2020
6T16
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BU of 6t16 by Molmil
ASR Alternansucrase in complex with panose
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose, ...
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-03
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
3K7I
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BU of 3k7i by Molmil
Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: Indian hedgehog protein, SULFATE ION, ZINC ION
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
6SZI
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BU of 6szi by Molmil
ASR Alternansucrase in complex with isomaltose
分子名称: Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
著者Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M.
登録日2019-10-02
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
6W2T
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BU of 6w2t by Molmil
Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the closed state (Class 2)
分子名称: 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ...
著者Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S.
登録日2020-03-08
公開日2020-04-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
6SLT
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BU of 6slt by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan and FAD
分子名称: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Moritzer, A, Niemann, H.H.
登録日2019-08-20
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding of FAD and tryptophan to the tryptophan 6-halogenase Thal is negatively coupled.
Protein Sci., 28, 2019
4IQP
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BU of 4iqp by Molmil
Crystal Structure of HCRA-W1266A
分子名称: Botulinum neurotoxin type A, GLYCEROL
著者Fu, Z, Kroken, A.R, Barbieri, J.T, Kim, J.-J.P.
登録日2013-01-12
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhancing the Protective Immune Response against Botulism.
Infect.Immun., 81, 2013
6SMT
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BU of 6smt by Molmil
S-enantioselective imine reductase from Mycobacterium smegmatis
分子名称: (2S)-2-ethylhexan-1-ol, 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, ...
著者Meyer, T, Zumbraegel, N, Geerds, C, Groeger, H, Niemann, H.H.
登録日2019-08-22
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Characterization of an S -enantioselective Imine Reductase from Mycobacterium Smegmatis .
Biomolecules, 10, 2020
6SUL
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BU of 6sul by Molmil
Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami
分子名称: Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ...
著者Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S.
登録日2019-09-15
公開日2020-07-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
6WBQ
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BU of 6wbq by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A
分子名称: 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-03-27
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6SS7
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Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Bovay, A.
登録日2019-09-06
公開日2020-07-15
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
6PSD
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BU of 6psd by Molmil
Complex of CRACR2a with a Dynein Light Intermediate Chain Peptide
分子名称: CALCIUM ION, EF-hand calcium-binding domain-containing protein 4B, cDNA FLJ10219 fis, ...
著者Dominguez, R, Lee, I.G.
登録日2019-07-12
公開日2020-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A tunable LIC1-adaptor interaction modulates dynein activity in a cargo-specific manner.
Nat Commun, 11, 2020
4JXJ
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Crystal Structure of Ribosomal RNA small subunit methyltransferase A from Rickettsia bellii Determined by Iodide SAD Phasing
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Ribosomal RNA small subunit methyltransferase A
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-03-28
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Ribosomal RNA small subunit methyltransferase A from Rickettsia bellii Determined by Iodide SAD Phasing
TO BE PUBLISHED
6ST7
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Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
分子名称: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6VRM
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T cell receptor-p53-HLA-A2 complex
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
著者Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
登録日2020-02-08
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020

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