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6N4N
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BU of 6n4n by Molmil
Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex
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 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ...
著者Wang, Z, Foight, G.W, Baker, D, Maly, D.J.
登録日2018-11-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Multi-input chemical control of protein dimerization for programming graded cellular responses.
Nat.Biotechnol., 37, 2019
4J7A
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BU of 4j7a by Molmil
Crystal Structure of Est25 - a Bacterial Homolog of Hormone-Sensitive Lipase from a Metagenomic Library
分子名称: Esterase
著者Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Park, K.S, Joo, S.B, Kim, K.K, Kim, D.H.
登録日2013-02-13
公開日2014-01-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.492 Å)
主引用文献Structural and functional analyses of a bacterial homologue of hormone-sensitive lipase from a metagenomic library
Acta Crystallogr.,Sect.D, 69, 2014
4J4L
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BU of 4j4l by Molmil
Modular evolution and design of the protein binding interface
分子名称: Interleukin-6, Internalin B,REPEAT MODULES,Variable lymphocyte receptor B
著者Cheong, H.K, Kim, H.J.
登録日2013-02-07
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modular evolution and design of the protein binding interface
To be Published
4AGU
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BU of 4agu by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN
分子名称: CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
著者Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A.
登録日2012-01-31
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
7T63
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BU of 7t63 by Molmil
Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia
分子名称: DESATURASE, FE (II) ION
著者Liu, Q, Chai, J, Shanklin, J.
登録日2021-12-13
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Divergent evolution of extreme production of variant plant monounsaturated fatty acids.
Proc.Natl.Acad.Sci.USA, 119, 2022
5G4D
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BU of 5g4d by Molmil
Crystal structure of the Cas2 in T.onnurineus
分子名称: CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS2
著者Jung, T.Y, Park, K.H, Woo, E.J.
登録日2016-05-12
公開日2016-07-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structural Features of Cas2 from Thermococcus Onnurineus in Crispr-Cas System Type Iv.
Protein Sci., 25, 2016
3ZDU
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BU of 3zdu by Molmil
Crystal structure of the human CDKL3 kinase domain
分子名称: 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ...
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2012-11-30
公開日2013-03-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
3ULA
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BU of 3ula by Molmil
Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
3UL9
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BU of 3ul9 by Molmil
structure of the TV3 mutant M41E
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-11-10
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein.
Plos One, 7, 2012
4AAA
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BU of 4aaa by Molmil
Crystal structure of the human CDKL2 kinase domain
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CYCLIN-DEPENDENT KINASE-LIKE 2
著者Canning, P, Vollmar, M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2011-11-30
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
3RFS
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BU of 3rfs by Molmil
Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
分子名称: Internalin B, repeat modules, Variable lymphocyte receptor B, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-04-06
公開日2012-03-14
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Proc.Natl.Acad.Sci.USA, 109, 2012
3CI3
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BU of 3ci3 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
著者Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
登録日2008-03-10
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
3CI4
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BU of 3ci4 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)inamide and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, COB(II)INAMIDE, Cobalamin adenosyltransferase PduO-like protein, ...
著者Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
登録日2008-03-10
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
3CI1
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BU of 3ci1 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
著者Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
登録日2008-03-10
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
3RFJ
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BU of 3rfj by Molmil
Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
分子名称: Internalin B, repeat modules, Variable lymphocyte receptor, ...
著者Kim, H.J, Cheong, H.K, Jeon, Y.H.
登録日2011-04-06
公開日2012-03-14
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Proc.Natl.Acad.Sci.USA, 109, 2012
4KMF
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BU of 4kmf by Molmil
Crystal structure of Zalpha domain from Carassius auratus PKZ in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Interferon-inducible and double-stranded-dependent eIF-2kinase, MANGANESE (II) ION
著者Kim, D, Kim, K.K.
登録日2013-05-08
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinct Z-DNA binding mode of a PKR-like protein kinase containing a Z-DNA binding domain (PKZ).
Nucleic Acids Res., 42, 2014
4KIA
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BU of 4kia by Molmil
Crystal structure of LmHde, heme-degrading enzyme, from Listeria monocytogenes
分子名称: Lmo2213 protein
著者Kim, K.K, Duong, T, Kim, T.
登録日2013-05-02
公開日2014-03-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional characterization of an Isd-type haem-degradation enzyme from Listeria monocytogenes.
Acta Crystallogr.,Sect.D, 70, 2014
5FS0
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BU of 5fs0 by Molmil
crystal structure of the phenol-responsive sensory domain of the transcription activator PoxR with 2,4-dichlorophenol
分子名称: 2,4-dichlorophenol, Positive phenol-degradative gene regulator, ZINC ION
著者Patil, V.V, Woo, E.J.
登録日2015-12-23
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of the Phenol-Responsive Sensory Domain of the Transcription Activator Poxr
Structure, 624, 2016
1PPE
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BU of 1ppe by Molmil
THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES
分子名称: TRYPSIN, TRYPSIN INHIBITOR CMTI-I
著者Bode, W, Huber, R.
登録日1991-10-24
公開日1994-01-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The refined 2.0 A X-ray crystal structure of the complex formed between bovine beta-trypsin and CMTI-I, a trypsin inhibitor from squash seeds (Cucurbita maxima). Topological similarity of the squash seed inhibitors with the carboxypeptidase A inhibitor from potatoes
FEBS Lett., 242, 1989
6T96
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BU of 6t96 by Molmil
Photorhabdus laumondii subsp. laumondii lectin PLL3
分子名称: Lectin PLL3, SODIUM ION
著者Melicher, F, Houser, J, Fujdiarova, E, Faltinek, L, Wimmerova, M.
登録日2019-10-26
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family.
Molecules, 24, 2019
6FHY
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BU of 6fhy by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FHX
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BU of 6fhx by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
6FLU
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BU of 6flu by Molmil
Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ...
著者Houser, J, Jancarikova, G, Wimmerova, M.
登録日2018-01-28
公開日2019-02-06
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica.
Sci Rep, 9, 2019
7FE1
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BU of 7fe1 by Molmil
Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Alpha-1,2-mannosidase, ...
著者Miyazaki, T, Alonso-Gil, S.
登録日2021-07-19
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Chemistry, 28, 2022
7FE2
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BU of 7fe2 by Molmil
Crystal structure of the mutant E494Q of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with alpha-1,2-mannobiose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Alpha-1,2-mannosidase, ...
著者Miyazaki, T, Alonso-Gil, S.
登録日2021-07-19
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Chemistry, 28, 2022
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