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6GT6
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BU of 6gt6 by Molmil
Crystal structure of recombinant coagulation factor beta-XIIa
分子名称: CYSTEINE, Coagulation factor XII, GLYCEROL, ...
著者Pathak, M, Emsley, J.
登録日2018-06-15
公開日2019-07-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
1D0N
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BU of 1d0n by Molmil
THE CRYSTAL STRUCTURE OF CALCIUM-FREE EQUINE PLASMA GELSOLIN.
分子名称: HORSE PLASMA GELSOLIN
著者Burtnick, L.D, Robinson, R, Li, C.
登録日1999-09-13
公開日1999-09-15
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of plasma gelsolin: implications for actin severing, capping, and nucleation.
Cell(Cambridge,Mass.), 90, 1997
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
分子名称: GLYCEROL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-31
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
4M0I
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BU of 4m0i by Molmil
CRYSTAL STRUCTURE OF SYNTHETIC HIV-1 CAPSID C-TERMINAL DOMAIN (CTD) C198S mutant
分子名称: HIV-1 CAPSID PROTEIN
著者Howell, K, Tolbert, W.D, Pazgier, M, Lu, W.
登録日2013-08-01
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular basis of disulfide bonding-regulated HIV-1 capsid assembly
To be Published
4NZW
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BU of 4nzw by Molmil
Crystal Structure of STK25-MO25 Complex
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25
著者Feng, M, Hao, Q, Zhou, Z.C.
登録日2013-12-13
公開日2014-12-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.583 Å)
主引用文献Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: Polymerase PB2
著者Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-12-21
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
4O27
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BU of 4o27 by Molmil
Crystal structure of MST3-MO25 complex with WIF motif
分子名称: 5-mer peptide from serine/threonine-protein kinase 24, ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, ...
著者Hao, Q, Feng, M, Zhou, Z.C.
登録日2013-12-16
公開日2014-12-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.185 Å)
主引用文献Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: 1,2-ETHANEDIOL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-20
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
4DDL
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BU of 4ddl by Molmil
PDE10a Crystal Structure Complexed with Novel Inhibitor
分子名称: 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S, Zhang, J.
登録日2012-01-18
公開日2012-03-21
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4CTK
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BU of 4ctk by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4
分子名称: DIMETHYL SULFOXIDE, POLYPROTEIN, S-ADENOSYLMETHIONINE, ...
著者Barral, K, Bricogne, G, Sharff, A.
登録日2014-03-14
公開日2014-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
4CTJ
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BU of 4ctj by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9
分子名称: 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ...
著者Barral, K, Bricogne, G, Sharff, A.
登録日2014-03-14
公開日2014-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
6JQ9
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BU of 6jq9 by Molmil
Crystal structure of a lyase from Alteromonas sp.
分子名称: CALCIUM ION, SULFATE ION, Short ulvan lyase
著者Qin, H.M, Guo, Q.Q.
登録日2019-03-29
公開日2020-04-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Biochemical characterization and structural analysis of ulvan lyase from marine Alteromonas sp. reveals the basis for its salt tolerance.
Int.J.Biol.Macromol., 147, 2020
4OOL
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BU of 4ool by Molmil
Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid)
分子名称: (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
3LQ8
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BU of 3lq8 by Molmil
Structure of the kinase domain of c-Met bound to XL880 (GSK1363089)
分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2010-02-08
公開日2010-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases.
Cancer Res., 69, 2009
4OOM
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BU of 4oom by Molmil
Crystal structure of PBP3 in complex with BAL30072 ((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide)
分子名称: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2014-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
3SW2
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BU of 3sw2 by Molmil
X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
分子名称: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Klei, H.E.
登録日2011-07-13
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
分子名称: buckwheat glutaredoxin
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-08-23
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
分子名称: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Lesburg, C.A, Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
3TYQ
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BU of 3tyq by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
分子名称: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Lesburg, C.A, Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3UJ0
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BU of 3uj0 by Molmil
Crystal structure of the inositol 1,4,5-trisphosphate receptor with ligand bound form.
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
著者Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
3UJ4
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BU of 3uj4 by Molmil
Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor
分子名称: Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION
著者Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
4GQQ
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BU of 4gqq by Molmil
Human pancreatic alpha-amylase with bound ethyl caffeate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Williams, L.K, Brayer, G.D.
登録日2012-08-23
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
J.Med.Chem., 55, 2012
4HE2
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BU of 4he2 by Molmil
Crystal structure of human muscle fructose-1,6-bisphosphatase Q32R mutant complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, ...
著者Shi, R, Zhu, D.W, Lin, S.X.
登録日2012-10-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway.
Plos One, 8, 2013

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