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2GHI
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BU of 2ghi by Molmil
Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2
分子名称: SULFATE ION, transport protein
著者Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2006-03-27
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
5ZR3
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BU of 5zr3 by Molmil
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
分子名称: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha
著者Uno, T, Chong, K.T, Suzuki, T.
登録日2018-04-23
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
4ZNJ
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BU of 4znj by Molmil
Thermus Phage P74-26 Large Terminase ATPase domain mutant R139A (I 2 3 space group)
分子名称: Phage terminase large subunit, SULFATE ION
著者Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A.
登録日2015-05-04
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.532 Å)
主引用文献Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ZYI
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BU of 5zyi by Molmil
Crystal structure of CERT START domain in complex with compound E16
分子名称: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT
著者Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
登録日2018-05-25
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
5DJL
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BU of 5djl by Molmil
Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
著者Parker, L.J.
登録日2015-09-02
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism of cisplatin resistance mediated by Glutathione Transferase P1-1
Proc.Natl.Acad.Sci.USA, 2019
7Z6E
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BU of 7z6e by Molmil
Structure of the C1-PH-CNH regulatory module of MRCK1
分子名称: Serine/threonine-protein kinase mrck-1, ZINC ION
著者Truebestein, L, Leonard, T.A.
登録日2022-03-11
公開日2023-02-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure and regulation of the myotonic dystrophy kinase-related Cdc42-binding kinase.
Structure, 31, 2023
4ZBW
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BU of 4zbw by Molmil
Crystal structure of death effector domain of Caspase8 in Homo Sapiens
分子名称: Caspase-8
著者Shen, C, Wang, T, Quan, J.
登録日2015-04-15
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the death effector domains of caspase-8
Biochem.Biophys.Res.Commun., 463, 2015
5ZYJ
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BU of 5zyj by Molmil
Crystal structure of CERT START domain in complex with compound E16A
分子名称: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
著者Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
登録日2018-05-25
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
著者Di Fiore, A, De Simone, G, D'Ambrosio, K.
登録日2020-07-11
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
6ZR9
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BU of 6zr9 by Molmil
The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
分子名称: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION
著者D'Ambrosio, K, De Simone, G, Di Fiore, A.
登録日2020-07-11
公開日2021-06-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
分子名称: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Najeeb, J, Zhou, P.
登録日2015-09-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
4ZL4
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BU of 4zl4 by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842)
分子名称: (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ...
著者Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F.
登録日2015-05-01
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
5DSA
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BU of 5dsa by Molmil
Crystal structure of Holliday junctions stabilized by 5-methylcytosine in GCC junction core
分子名称: 5'-D(*CP*CP*GP*GP*CP*GP*5CMP*CP*GP*G)-3', CALCIUM ION
著者Vander Zanden, C.M, Ho, P.S.
登録日2015-09-17
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6896 Å)
主引用文献Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
6A3L
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BU of 6a3l by Molmil
Crystal structure of cytochrome c' from Shewanella violacea DSS12
分子名称: Cytochrome c, HEME C
著者Suka, A, Oki, H, Kato, Y, Kawahara, K, Ohkubo, T, Maruno, T, Kobayashi, Y, Fujii, S, Wakai, S, Sambongi, Y.
登録日2018-06-15
公開日2019-06-12
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Stability of cytochromes c' from psychrophilic and piezophilic Shewanella species: implications for complex multiple adaptation to low temperature and high hydrostatic pressure.
Extremophiles, 23, 2019
5DT9
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BU of 5dt9 by Molmil
Crystal structure of a putative D-Erythronate-4-Phosphate Dehydrogenase from Vibrio cholerae
分子名称: CHLORIDE ION, Erythronate-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Stogios, P.J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-09-17
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.663 Å)
主引用文献Crystal structure of a putative D-Erythronate-4-Phosphate Dehydrogenase from Vibrio cholerae
To Be Published
4ZR8
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BU of 4zr8 by Molmil
Structure of uroporphyrinogen decarboxylase from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-05-11
公開日2015-06-03
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 uroporphyrinogen decarboxylase from Acinetobacter baumannii
To be Published
5ZVC
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BU of 5zvc by Molmil
P domain of GII.13 norovirus capsid complexed with Lewis A trisaccharide
分子名称: GLYCEROL, Major capsid protein VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Chen, Y, Li, X.
登録日2018-05-10
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
4WF6
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BU of 4wf6 by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2014-09-12
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6521 Å)
主引用文献Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
6A4P
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BU of 6a4p by Molmil
HEWL crystals soaked in 2.5M GuHCl for 40 minutes
分子名称: CHLORIDE ION, GUANIDINE, Lysozyme C, ...
著者Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V.
登録日2018-06-20
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
5ZV9
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BU of 5zv9 by Molmil
P domain of GII.13 norovirus capsid
分子名称: GLYCEROL, Major capsid protein VP1
著者Chen, Y, Li, X.
登録日2018-05-09
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
5DSB
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BU of 5dsb by Molmil
Crystal structure of Holliday junctions stabilized by 5-hydroxymethylcytosine in GCC junction core
分子名称: 5'-D(*CP*CP*GP*GP*CP*GP*5HCP*CP*GP*G)-3', CALCIUM ION
著者Vander Zanden, C.M, Rowe, R.K, Broad, A.J, Ho, P.S.
登録日2015-09-17
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4959 Å)
主引用文献Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
5DRI
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BU of 5dri by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
分子名称: (2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
登録日2015-09-15
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
7AA4
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Structure of ClpC1-NTD bound to a CymA analogue
分子名称: Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue
著者Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T.
登録日2020-09-03
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
4WOC
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Proteinase-K Post-Surface Acoustic Waves
分子名称: Proteinase K, SULFATE ION
著者French, J.B.
登録日2014-10-15
公開日2015-02-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves.
Small, 11, 2015
5ZY8
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Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis
分子名称: 3-hydroxyacyl-ACP dehydratase, UPF0336 protein Rv0637
著者Singh, B.K, Biswas, R, Bhattacharyya, S, Basak, A, Das, A.K.
登録日2018-05-23
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献The C-terminal end of mycobacterial HadBC regulates AcpM interaction during the FAS-II pathway: a structural perspective.
Febs J., 2022

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件を2024-08-21に公開中

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