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6QZU
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BU of 6qzu by Molmil
Getah virus macro domain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein
Authors:Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein
Authors:Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ...
Authors:Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
Deposit date:2019-03-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: Cytoplasmic polyadenylation element-binding protein 1, ZINC ION
Authors:Lee, B.M, Merkel, D.J, Wells, S.B, Hilburn, B.C, Elazzouzi, F, Perez-Alvarado, G.C.
Deposit date:2012-11-14
Release date:2013-04-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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, ...
Authors:Malinina, L, Teplova, M, Musunuru, K, Teplov, A, Darnell, J.C, Burley, S.K, Darnell, R.B, Patel, D.J.
Deposit date:2005-08-11
Release date:2006-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Myelin-associated glycoprotein, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-07-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Aquaporin-2, CADMIUM ION
Authors: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.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.7 Å)
Cite: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
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, GLYCEROL, ...
Authors:Gupta, K, Selinsky, B.S, Loll, P.J.
Deposit date:2005-09-07
Release date:2006-01-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 50S ribosomal protein L35Ae
Authors: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)
Deposit date:2012-02-02
Release date:2012-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
Authors:Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G.
Deposit date:2019-01-29
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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
Authors:Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
Deposit date:2013-04-12
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Wild, K, Segnitz, B, Sinning, I.
Deposit date:2016-05-24
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(S2M)P*AP*CP*GP*C)-3')
Authors:Diop-Frimpong, B, Prakash, T.P, Rajeev, K.G, Manoharan, M, Egli, M.
Deposit date:2005-09-04
Release date:2005-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Bowler, B.E, Whitby, F.G.
Deposit date:2016-06-25
Release date:2017-03-22
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
Authors:Eck, M.J, Park, E, Lee, B.
Deposit date:2015-04-29
Release date:2015-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: SULFATE ION, Thiol:disulfide interchange protein DsbD
Authors:Smith, R.P, Heras, B, Paxman, J.J.
Deposit date:2018-06-08
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.603 Å)
Cite: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
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I.
Deposit date:2022-11-21
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: 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
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.-J.
Deposit date:2012-11-01
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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

223790

數據於2024-08-14公開中

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