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6QZU
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BU of 6qzu by Molmil
Getah virus macro domain
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein
著者Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
6R0G
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BU of 6r0g by Molmil
Getah virus macro domain in complex with ADPr, pose 2
分子名称: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
6R0P
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BU of 6r0p by Molmil
Getah virus macro domain in complex with ADPr in double open conformation
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ...
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
2M13
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BU of 2m13 by Molmil
The ZZ domain of cytoplasmic polyadenylation element binding protein 1 (CPEB1)
分子名称: Cytoplasmic polyadenylation element-binding protein 1, ZINC ION
著者Lee, B.M, Merkel, D.J, Wells, S.B, Hilburn, B.C, Elazzouzi, F, Perez-Alvarado, G.C.
登録日2012-11-14
公開日2013-04-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The C-Terminal Region of Cytoplasmic Polyadenylation Element Binding Protein Is a ZZ Domain with Potential for Protein-Protein Interactions.
J.Mol.Biol., 425, 2013
6R0F
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BU of 6r0f by Molmil
Getah virus macro domain in complex with ADPr, pose 1
分子名称: Non-structural polyprotein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
2ANN
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BU of 2ann by Molmil
Crystal structure (I) of Nova-1 KH1/KH2 domain tandem with 25 nt RNA hairpin
分子名称: 5'-R(*CP*GP*CP*GP*CP*GP*GP*AP*UP*CP*AP*GP*UP*CP*AP*CP*CP*CP*AP*AP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION, ...
著者Malinina, L, Teplova, M, Musunuru, K, Teplov, A, Darnell, J.C, Burley, S.K, Darnell, R.B, Patel, D.J.
登録日2005-08-11
公開日2006-10-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-RNA and protein-protein recognition by dual KH1/2 domains of the neuronal splicing factor Nova-1.
Structure, 19, 2011
5LFV
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BU of 5lfv by Molmil
Crystal structure of glycosylated Myelin-associated glycoprotein (MAG) Ig1-3 with soaked trisaccharide ligand
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Myelin-associated glycoprotein, ...
著者Pronker, M.F, Janssen, B.J.C.
登録日2016-07-04
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
6QF5
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BU of 6qf5 by Molmil
X-Ray structure of human Aquaporin 2 crystallized on a silicon chip
分子名称: Aquaporin-2, CADMIUM ION
著者Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
登録日2019-01-09
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
4K1Z
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BU of 4k1z by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe
分子名称: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
著者Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
登録日2013-04-07
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
2AYL
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BU of 2ayl by Molmil
2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine Prostaglandin H2 Synthase-1 Complexed With Flurbiprofen
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, GLYCEROL, ...
著者Gupta, K, Selinsky, B.S, Loll, P.J.
登録日2005-09-07
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 angstroms structure of prostaglandin H2 synthase-1 reconstituted with a manganese porphyrin cofactor.
Acta Crystallogr.,Sect.D, 62, 2006
2LP6
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BU of 2lp6 by Molmil
Refined Solution NMR Structure of the 50S ribosomal protein L35Ae from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target (NESG) PfR48
分子名称: 50S ribosomal protein L35Ae
著者Snyder, D.A, Aramini, J.M, Yu, B, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2012-02-02
公開日2012-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus.
Proteins, 80, 2012
6QKD
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BU of 6qkd by Molmil
CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085
分子名称: CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
著者Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G.
登録日2019-01-29
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fab Fragment of VHH-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine IL-17A
Crystals, 2019
4K4O
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BU of 4k4o by Molmil
The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor
分子名称: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
登録日2013-04-12
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5L4X
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BU of 5l4x by Molmil
Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside
分子名称: Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside
著者Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
登録日2016-05-26
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
5L3Q
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BU of 5l3q by Molmil
Structure of the GTPase heterodimer of human SRP54 and SRalpha
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Wild, K, Segnitz, B, Sinning, I.
登録日2016-05-24
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
2AXB
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BU of 2axb by Molmil
Crystal Structure Analysis Of A 2-O-[2-(methoxy)ethyl]-2-thiothymidine Modified Oligodeoxynucleotide Duplex
分子名称: 5'-D(*GP*CP*GP*TP*AP*(S2M)P*AP*CP*GP*C)-3')
著者Diop-Frimpong, B, Prakash, T.P, Rajeev, K.G, Manoharan, M, Egli, M.
登録日2005-09-04
公開日2005-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Stabilizing contributions of sulfur-modified nucleotides: crystal structure of a DNA duplex with 2'-O-[2-(methoxy)ethyl]-2-thiothymidines.
Nucleic Acids Res., 33, 2005
5KLU
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BU of 5klu by Molmil
Crystal Structure of a Domain-swapped Dimer of Yeast Iso-1-cytochrome c with omega-undecylenyl-beta-D-maltopyranoside
分子名称: Cytochrome c iso-1, HEME C, SULFATE ION, ...
著者Bowler, B.E, Whitby, F.G.
登録日2016-06-25
公開日2017-03-22
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
4ZJV
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BU of 4zjv by Molmil
crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein
分子名称: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
著者Eck, M.J, Park, E, Lee, B.
登録日2015-04-29
公開日2015-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
6DNV
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BU of 6dnv by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the reduced form
分子名称: SULFATE ION, Thiol:disulfide interchange protein DsbD
著者Smith, R.P, Heras, B, Paxman, J.J.
登録日2018-06-08
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
8BQF
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BU of 8bqf by Molmil
Adenylate Kinase L107I MUTANT
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
著者Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I.
登録日2022-11-21
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase.
Proc.Natl.Acad.Sci.USA, 120, 2023
7MGJ
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BU of 7mgj by Molmil
TNNI3K complexed with N-methyl-4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)picolinamide
分子名称: N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
7MGK
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BU of 7mgk by Molmil
TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
分子名称: N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea, Serine/threonine-protein kinase TNNI3K
著者Shewchuk, L.M.
登録日2021-04-12
公開日2021-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
2YPU
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BU of 2ypu by Molmil
human insulin degrading enzyme E111Q in complex with inhibitor compound 41367
分子名称: 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID, INSULIN-DEGRADING ENZYME, ZINC ION
著者Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.-J.
登録日2012-11-01
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Imidazole-Derived 2-[N-Carbamoylmethyl-Alkylamino]Acetic Acids,Substrate-Dependent Modulators of Insulin-Degrading Enzyme in Amyloid-Beta Hydrolysis
Eur J Med Chem, 79C, 2014

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