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5YA1
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BU of 5ya1 by Molmil
crystal structure of LsrK-HPr complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ...
著者Ryu, K.S, Ha, J.H.
登録日2017-08-29
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
5XYV
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BU of 5xyv by Molmil
Crystal structure of drosophila melanogaster Rhino chromoshadow domain in complex with Deadlock N-terminal domain
分子名称: Protein deadlock, RHINO
著者Yu, B.W, Huang, Y.
登録日2017-07-10
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
5YA0
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BU of 5ya0 by Molmil
Crystal structure of LsrK and HPr complex
分子名称: Autoinducer-2 kinase, HEXANE-1,6-DIOL, PHOSPHATE ION, ...
著者Ryu, K.S, Ha, J.H.
登録日2017-08-29
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
3M5N
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BU of 3m5n by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A
分子名称: NS3/4A, SECTTPC peptide, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M5O
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BU of 3m5o by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 5A5B
分子名称: NS3/4A, SULFATE ION, TEDVVCC peptide, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M5L
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BU of 3m5l by Molmil
Crystal structure of HCV NS3/4A protease in complex with ITMN-191
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3/4A, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M5M
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BU of 3m5m by Molmil
Avoiding drug resistance against HCV NS3/4A protease inhibitors
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FDEMEEC Peptide, NS3/4A, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3A2O
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BU of 3a2o by Molmil
Crystal Structure of HIV-1 Protease Complexed with KNI-1689
分子名称: (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE
著者Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R.
登録日2009-05-26
公開日2010-03-02
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
3CB8
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BU of 3cb8 by Molmil
4Fe-4S-Pyruvate formate-lyase activating enzyme in complex with AdoMet and a peptide substrate
分子名称: FORMIC ACID, IRON/SULFUR CLUSTER, Pyruvate formate-lyase 1-activating enzyme, ...
著者Vey, J.L, Drennan, C.L.
登録日2008-02-21
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C8F
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BU of 3c8f by Molmil
4Fe-4S-Pyruvate formate-lyase Activating Enzyme with partially disordered AdoMet
分子名称: IRON/SULFUR CLUSTER, Pyruvate formate-lyase 1-activating enzyme, TRIETHYLENE GLYCOL, ...
著者Vey, J.L, Drennan, C.L.
登録日2008-02-11
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1AGA
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BU of 1aga by Molmil
THE AGAROSE DOUBLE HELIX AND ITS FUNCTION IN AGAROSE GEL STRUCTURE
分子名称: beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose
著者Arnott, S.
登録日1978-05-23
公開日1980-03-28
最終更新日2024-02-07
実験手法FIBER DIFFRACTION (3 Å)
主引用文献The agarose double helix and its function in agarose gel structure.
J.Mol.Biol., 90, 1974
1CAR
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BU of 1car by Molmil
I-CARRAGEENAN. MOLECULAR STRUCTURE AND PACKING OF POLYSACCHARIDE DOUBLE HELICES IN ORIENTED FIBRES OF DIVALENT CATION SALTS
分子名称: 4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose
著者Arnott, S.
登録日1978-05-23
公開日1980-03-28
最終更新日2024-02-07
実験手法FIBER DIFFRACTION (3 Å)
主引用文献Iota-carrageenan: molecular structure and packing of polysaccharide double helices in oriented fibres of divalent cation salts.
J.Mol.Biol., 90, 1974
1CLL
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BU of 1cll by Molmil
CALMODULIN STRUCTURE REFINED AT 1.7 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, CALMODULIN, ETHANOL
著者Chattopadhyaya, R, Quiocho, F.A.
登録日1992-09-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Calmodulin structure refined at 1.7 A resolution.
J.Mol.Biol., 228, 1992
4D79
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BU of 4d79 by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ...
著者Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
登録日2014-11-21
公開日2015-05-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
4D7A
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BU of 4d7a by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with AMP at 1.801 Angstroem resolution
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
著者Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
登録日2014-11-21
公開日2015-05-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
5LQ4
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BU of 5lq4 by Molmil
The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways
分子名称: CyaGox, FLAVIN MONONUCLEOTIDE
著者Bent, A.F, Wagner, A, Naismith, J.H.
登録日2016-08-16
公開日2016-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Acta Crystallogr D Struct Biol, 72, 2016
4DXB
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BU of 4dxb by Molmil
2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group
分子名称: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
著者van den Akker, F, Ke, W.
登録日2012-02-27
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4DXC
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BU of 4dxc by Molmil
Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group
分子名称: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
著者van den Akker, F, Ke, W.
登録日2012-02-27
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4E90
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BU of 4e90 by Molmil
Human phosphodiesterase 9 in complex with inhibitors
分子名称: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-03-20
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
1HIO
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BU of 1hio by Molmil
HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN, ALPHA CARBONS ONLY
分子名称: HISTONE H2A, HISTONE H2B, HISTONE H3, ...
著者Arents, G, Moudrianakis, E.N.
登録日1991-09-19
公開日1998-11-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix.
Proc.Natl.Acad.Sci.USA, 88, 1991
4G2J
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BU of 4g2j by Molmil
Human pde9 in complex with selective compound
分子名称: 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-07-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
4G2L
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BU of 4g2l by Molmil
Human PDE9 in complex with selective compound
分子名称: 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Liu, S.
登録日2012-07-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
7L5D
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BU of 7l5d by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-21
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
7L06
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BU of 7l06 by Molmil
Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to two copies of domain-swapped antibody 2G12
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, 2G12 heavy chain, ...
著者Manne, K, Henderson, R, Acharya, P.
登録日2020-12-11
公開日2020-12-30
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7L02
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BU of 7l02 by Molmil
Cryo-EM structure of SARS-CoV-2 2P S ectodomain bound to one copy of domain-swapped antibody 2G12
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, 2G12 heavy chain, ...
著者Manne, K, Henderson, R, Acharya, P.
登録日2020-12-10
公開日2020-12-30
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021

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