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3H5U
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Hepatitis C virus polymerase NS5B with saccharin inhibitor 1
分子名称: N-({3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2009-04-22
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
3EJP
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BU of 3ejp by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5R)-5-[2'-oxo-2'-(phenyl)ethyl]-swainsonine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2008-09-18
公開日2009-10-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
4KNM
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BU of 4knm by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2013-05-10
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KPP
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BU of 4kpp by Molmil
Crystal Structure of H+/Ca2+ Exchanger CAX
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, OLEIC ACID, ...
著者Nishizawa, T, Ishitani, R, Nureki, O.
登録日2013-05-14
公開日2013-06-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger.
Science, 341, 2013
4KRR
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BU of 4krr by Molmil
Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240)
分子名称: GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein
著者Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I.
登録日2013-05-16
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
4KNN
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BU of 4knn by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, ACETIC ACID, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2013-05-10
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII
Bioorg.Med.Chem., 21, 2013
4KP0
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BU of 4kp0 by Molmil
Crystal Structure of the human Chymase with TJK002
分子名称: 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid, Chymase
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-05-12
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a complex of human chymase with its benzimidazole derived inhibitor
J.SYNCHROTRON RADIAT., 20, 2013
2M1E
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BU of 2m1e by Molmil
Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions.
分子名称: Insulin
著者Bocian, W, Kozerski, L.
登録日2012-11-26
公開日2013-02-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions.
J.Biomol.Nmr, 55, 2013
5ZKG
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BU of 5zkg by Molmil
Crystal Structure of C-terminal Domain of Plasmodium vivax p43
分子名称: Aminoacyl-tRna synthetase-interacting multifunctional protein P43
著者Gupta, S, Sharma, M, Manickam, Y, Sharma, A.
登録日2018-03-23
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein.
Acta Crystallogr D Struct Biol, 76, 2020
3MWK
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BU of 3mwk by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, complex with 8-oxo-AMP
分子名称: Heat resistant RNA dependent ATPase, SULFATE ION, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
著者Rudolph, M.G, Klostermeier, D.
登録日2010-05-06
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
5ZH4
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BU of 5zh4 by Molmil
CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7
分子名称: (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ...
著者Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A.
登録日2018-03-11
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
5ZDK
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BU of 5zdk by Molmil
Crystal Structure Analysis of TtQRS in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ...
著者Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
登録日2018-02-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
5Z5S
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BU of 5z5s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 13ab
分子名称: 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Matsui, Y, Hanzawa, H.
登録日2018-01-19
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
5ELO
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BU of 5elo by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin
分子名称: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-04
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5ZKF
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BU of 5zkf by Molmil
Crystal Structure of N-terminal Domain of Plasmodium vivax p43 in space group P21
分子名称: Aminoacyl tRNA Synthetase Complex-Interacting Multifunctional Protein p43
著者Gupta, S, Sharma, M, Harlos, K, Manickam, Y, Sharma, A.
登録日2018-03-23
公開日2019-04-24
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein.
Acta Crystallogr D Struct Biol, 76, 2020
5EIU
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BU of 5eiu by Molmil
Mini TRIM5 B-box 2 dimer C2 crystal form
分子名称: TRIM protein-E3 ligase Chimera, ZINC ION
著者Wagner, J.M, Doss, G, Pornillos, O.
登録日2015-10-30
公開日2016-06-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5ZS9
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BU of 5zs9 by Molmil
SufS from Bacillus subtilis in the resting state
分子名称: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER
著者Nakamura, R, Fujishiro, T, Takahashi, Y.
登録日2018-04-28
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
3NEJ
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BU of 3nej by Molmil
Q28E mutant of Hera RNA helicase N-terminal domain - perfectly twinned hexagonal form
分子名称: Heat resistant RNA dependent ATPase
著者Rudolph, M.G.
登録日2010-06-09
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
6AAG
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BU of 6aag by Molmil
Crystal structure of budding yeast Atg8 complexed with the helical AIM of Hfl1.
分子名称: Transmembrane protein 184 homolog YKR051W,Autophagy-related protein 8
著者Yamasaki, A, Noda, N.N.
登録日2018-07-18
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Lipidation-independent vacuolar functions of Atg8 rely on its noncanonical interaction with a vacuole membrane protein
Elife, 7, 2018
6AAF
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BU of 6aaf by Molmil
Crystal structure of fission yeast Atg8 complexed with the helical AIM of Hfl1.
分子名称: Autophagy-related protein 8, Transmembrane protein 184 homolog C30D11.06c
著者Yamasaki, A, Noda, N.N.
登録日2018-07-18
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Lipidation-independent vacuolar functions of Atg8 rely on its noncanonical interaction with a vacuole membrane protein
Elife, 7, 2018
5ZST
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BU of 5zst by Molmil
NifS from Hydrogenimonas thermopile in a persulfurated form
分子名称: Cysteine desulfurase
著者Nakamura, R, Fujishiro, T, Takahashi, Y.
登録日2018-04-29
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
5EYA
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BU of 5eya by Molmil
TRIM25 RING domain in complex with Ubc13-Ub conjugate
分子名称: Polyubiquitin-B, Tripartite motif-containing 25 variant, Ubiquitin-conjugating enzyme E2 N, ...
著者Pornillos, O, Sanchez, J.G.
登録日2015-11-24
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of TRIM25 Catalytic Activation in the Antiviral RIG-I Pathway.
Cell Rep, 16, 2016
5EW3
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BU of 5ew3 by Molmil
Human Vascular Endothelial Growth Factor Receptor 2 (KDR) Kinase Domain in complex with AAL993
分子名称: 2-(pyridin-4-ylmethylamino)-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Vascular endothelial growth factor receptor 2
著者Stark, W, Goepfert, A.
登録日2015-11-20
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Potent Oral Series of VEGFR2 Inhibitors Abrogate Tumor Growth by Inhibiting Angiogenesis.
J.Med.Chem., 59, 2016
1KRU
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BU of 1kru by Molmil
Galactoside Acetyltransferase in Complex with IPTG and Coenzyme A
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, COENZYME A, GALACTOSIDE O-ACETYLTRANSFERASE
著者Wang, X.-G, Olsen, L.R, Roderick, S.L.
登録日2002-01-10
公開日2002-04-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the lac operon galactoside acetyltransferase.
Structure, 10, 2002
6A9E
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BU of 6a9e by Molmil
Crystal structure of the N-terminal domain of Atg2
分子名称: Endolysin,Autophagy-related protein 2
著者Osawa, T, Noda, N.N.
登録日2018-07-13
公開日2019-03-20
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019

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