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4HGL
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BU of 4hgl by Molmil
Crystal structure of ck1g3 with compound 1
分子名称: 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
6YQG
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BU of 6yqg by Molmil
Crystal structure of native Phycocyanin in spacegroup P63 at 1.45 Angstroms.
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-17
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
6Y6O
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BU of 6y6o by Molmil
Structure of mature activin A with small molecule 42
分子名称: (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
著者McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
登録日2020-02-26
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
登録日2016-04-06
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
6Y6N
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BU of 6y6n by Molmil
Structure of mature activin A with small molecule 2
分子名称: (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
著者McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
登録日2020-02-26
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
6YPQ
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BU of 6ypq by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup R32 at 1.29 Angstroms
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, GLYCINE, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-16
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
6YQ8
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BU of 6yq8 by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup P63 at 1.8 Angstroms
分子名称: 1,2-ETHANEDIOL, C-phycocyanin alpha chain, C-phycocyanin beta chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-16
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
6YYJ
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BU of 6yyj by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup P21212 at 2.1 Angstroms
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, C-phycocyanin alpha chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-05-05
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
5XFD
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BU of 5xfd by Molmil
Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)
分子名称: Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Kuwabara, N, Fumiaki, Y, Kato, R.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
6YN0
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BU of 6yn0 by Molmil
Structure of E. coli PBP1b with a FtsN peptide activating transglycosylase activity
分子名称: Cell division protein FtsN, MOENOMYCIN, Penicillin-binding protein 1B
著者Kerff, F, Terrak, M, Boes, A, Herman, H, Charlier, P.
登録日2020-04-10
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The bacterial cell division protein fragment E FtsN binds to and activates the major peptidoglycan synthase PBP1b.
J.Biol.Chem., 295, 2020
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5X7E
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BU of 5x7e by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase
著者Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T.
登録日2017-02-25
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Production of an active form of vitamin D2 by genetically engineered CYP105A1
Biochem. Biophys. Res. Commun., 486, 2017
4OD2
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BU of 4od2 by Molmil
Crystal structure of the Fab fragment of an anti-DR5 antibody bound to DR5
分子名称: Fab fragment of drozitumab, heavy chain, light chain, ...
著者Hymowitz, S.G, Compaan, D.
登録日2014-01-09
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and functional analysis of the interaction between the agonistic monoclonal antibody Apomab and the proapoptotic receptor DR5.
Cell Death Differ., 15, 2008
4WYV
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BU of 4wyv by Molmil
Crystal Structure of Human Translin in Open Conformation
分子名称: Translin
著者Dvir, H, Eliahoo, E, Alian, A.
登録日2014-11-18
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel open-barrel structure of octameric translin reveals a potential RNA entryway.
J.Mol.Biol., 427, 2015
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
4WNX
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BU of 4wnx by Molmil
Netrin 4 lacking the C-terminal Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者McDougall, M, Patel, T, Reuten, R, Meier, M, Koch, M, Stetefeld, J.
登録日2014-10-14
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.723 Å)
主引用文献Structural decoding of netrin-4 reveals a regulatory function towards mature basement membranes.
Nat Commun, 7, 2016
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
分子名称: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-10-08
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
4N3R
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BU of 4n3r by Molmil
Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)
分子名称: 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-10-07
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
4N4T
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BU of 4n4t by Molmil
Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
分子名称: (4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-10-08
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.315 Å)
主引用文献Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
1WD5
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BU of 1wd5 by Molmil
Crystal structure of TT1426 from Thermus thermophilus HB8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, hypothetical protein TT1426
著者Shibata, R, Kukimoto-Niino, M, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-11
公開日2004-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a predicted phosphoribosyltransferase (TT1426) from Thermus thermophilus HB8 at 2.01 A resolution
Protein Sci., 14, 2005
3HJR
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BU of 3hjr by Molmil
Crystal structure of serine protease of Aeromonas sobria
分子名称: CALCIUM ION, Extracellular serine protease
著者Utsunomiya, H, Tsuge, H, Kobayashi, H, Okamoto, K.
登録日2009-05-22
公開日2009-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for the kexin-like serine protease from Aeromonas sobria as a sepsis-causing factor
J.Biol.Chem., 284, 2009
1DMK
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BU of 1dmk by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE
分子名称: 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ...
著者Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
登録日1999-12-14
公開日2000-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1YJI
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BU of 1yji by Molmil
RDC-refined Solution NMR structure of reduced putidaredoxin
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
登録日2005-01-14
公開日2005-06-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005

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