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4V7M
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BU of 4v7m by Molmil
The structures of Capreomycin bound to the 70S ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Stanley, R.E, Blaha, G.
登録日2009-11-12
公開日2014-07-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献The structures of the anti-tuberculosis antibiotics viomycin and capreomycin bound to the 70S ribosome.
Nat.Struct.Mol.Biol., 17, 2010
6D9X
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BU of 6d9x by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-04-30
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
5K58
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BU of 5k58 by Molmil
Structure of the K. pneumonia SlmA-DNA complex bound to the C-terminal of the cell division protein FtsZ
分子名称: DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*C)-3'), Nucleoid occlusion factor SlmA, Octapeptide
著者Schumacher, M.
登録日2016-05-23
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.772 Å)
主引用文献Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7XLD
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BU of 7xld by Molmil
Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH)
分子名称: Iron-regulated surface determinant protein H, MAGNESIUM ION, Nanobody VHH6, ...
著者Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K.
登録日2022-04-21
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth.
J.Biol.Chem., 299, 2023
5K7A
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BU of 5k7a by Molmil
Crystal structure of laccase fron Thermus thermophilus HB27 (sodium nitrate 1.5 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-25
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Preserving metalic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
6D4F
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BU of 6d4f by Molmil
Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D)
分子名称: PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon
著者Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
登録日2018-04-18
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
6DBK
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BU of 6dbk by Molmil
Tyk2 with compound 8
分子名称: 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6D4R
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BU of 6d4r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134)
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D55
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BU of 6d55 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
5K92
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BU of 5k92 by Molmil
Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide
分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-05-31
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
4U27
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BU of 4u27 by Molmil
Crystal structure of the E. coli ribosome bound to flopristin and linopristin.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
登録日2014-07-16
公開日2014-07-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
6D5Y
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BU of 6d5y by Molmil
Crystal structure of ERK2 G169D mutant
分子名称: Mitogen-activated protein kinase 1
著者Yin, J, Jaiswal, B.S, Wang, W.
登録日2018-04-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy.
Clin. Cancer Res., 24, 2018
6D74
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BU of 6d74 by Molmil
Direct Activation of the Executioner Domain of MLKL by a Select Repertoire of Inositol Phosphates
分子名称: Mixed lineage kinase domain-like protein
著者Royappa, G.C, McNamara, D.E, Moldoveanu, T.
登録日2018-04-24
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Direct Activation of Human MLKL by a Select Repertoire of Inositol Phosphate Metabolites.
Cell Chem Biol, 26, 2019
6D53
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BU of 6d53 by Molmil
Trans form of HemolysinII c-terminal domain
分子名称: Hemolysin II
著者Kaplan, A.R, Alexandrescu, A.T, Olson, R.
登録日2018-04-19
公開日2019-04-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Trans form of HemolysinII c-terminal domain
To Be Published
6D6B
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BU of 6d6b by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 11
分子名称: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate, Transcriptional activator protein LasR
著者Dong, S.H, Nair, S.K.
登録日2018-04-20
公開日2018-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
6D50
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BU of 6d50 by Molmil
Bacteroides uniforms beta-glucuronidase 2 bound to D-glucaro-1,5-lactone
分子名称: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, CALCIUM ION, Glycosyl hydrolases family 2, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-19
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
6D7N
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BU of 6d7n by Molmil
Crystal structure of the W357R/W399R Importin alpha mutant
分子名称: 1,2-ETHANEDIOL, Peroxidase,Importin subunit alpha-1
著者Pedersen, L.C, London, R.E, Gabel, S.A.
登録日2018-04-25
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Variations in nuclear localization strategies among pol X family enzymes.
Traffic, 2018
6D7S
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BU of 6d7s by Molmil
Cryo-EM structure of human TRPV6-Y467A in amphipols
分子名称: Transient receptor potential cation channel subfamily V member 6
著者Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2018-04-25
公開日2018-07-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
6D8O
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BU of 6d8o by Molmil
Group I self-splicing intron P4-P6 domain mutant A230U
分子名称: Group I self-splicing intron, MAGNESIUM ION
著者Shoffner, G.M.
登録日2018-04-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.80112481 Å)
主引用文献In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
6D6C
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BU of 6d6c by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 12
分子名称: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate, HISTIDINE, Transcriptional activator protein LasR
著者Dong, S.H, Nair, S.K.
登録日2018-04-20
公開日2018-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
7XEX
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BU of 7xex by Molmil
Crystal strucutre of apoCasDinG
分子名称: CasDinG
著者Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N.
登録日2022-03-31
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
7XF1
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BU of 7xf1 by Molmil
Crystal strucutre of apoCasDinG in complex with ssDNA
分子名称: CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')
著者Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N.
登録日2022-03-31
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
5KD0
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BU of 5kd0 by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT(E91A) mutant from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II
分子名称: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
6D4U
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BU of 6d4u by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664)
分子名称: 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D5U
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BU of 6d5u by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant
分子名称: CALCIUM ION, LYSINE, METHANOL, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.00009537 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018

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