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5NAR
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BU of 5nar by Molmil
Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NAW
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BU of 5naw by Molmil
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
4YH6
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BU of 4yh6 by Molmil
Crystal structure of IL1RAPL1 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein-like 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yamagata, A, Fukai, S.
登録日2015-02-27
公開日2015-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
5A3B
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BU of 5a3b by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AKB
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BU of 5akb by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 1
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.71 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
5NI7
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BU of 5ni7 by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
3O08
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BU of 3o08 by Molmil
Crystal structure of dimeric KlHxk1 in crystal form I
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hexokinase, SULFATE ION
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-19
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
5JH0
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BU of 5jh0 by Molmil
Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.18 Angstrom resolution
分子名称: ARS-binding factor 2, mitochondrial, DNA (5'-D(*AP*AP*TP*AP*AP*TP*AP*AP*AP*TP*TP*AP*TP*AP*TP*AP*AP*TP*AP*TP*AP*A)-3'), ...
著者Chakraborty, A, Lyonnais, S, Sola, M.
登録日2016-04-20
公開日2017-02-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
7A01
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BU of 7a01 by Molmil
The Halastavi arva virus intergenic region IRES promotes translation by the simplest possible initiation mechanism
分子名称: 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES21, ...
著者Abaeva, I, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T.V, Hashem, Y, Hellen, C.U.T.
登録日2020-08-05
公開日2020-12-30
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism.
Cell Rep, 33, 2020
6M0T
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BU of 6m0t by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)
分子名称: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
著者Babbar, P, Sharma, A, Manickam, Y.
登録日2020-02-22
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites.
Acs Infect Dis., 7, 2021
1KX9
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BU of 1kx9 by Molmil
ANTENNAL CHEMOSENSORY PROTEIN A6 FROM THE MOTH MAMESTRA BRASSICAE
分子名称: ACETATE ION, CHEMOSENSORY PROTEIN A6
著者Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C.
登録日2002-01-31
公開日2002-12-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray structure and ligand binding study of a moth chemosensory protein
J.Biol.Chem., 277, 2002
6ZOK
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BU of 6zok by Molmil
SARS-CoV-2-Nsp1-40S complex, focused on body
分子名称: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-29
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
5AC9
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BU of 5ac9 by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
分子名称: VP1, VP2, VP3, ...
著者Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
登録日2015-08-14
公開日2015-09-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
1SDY
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BU of 1sdy by Molmil
STRUCTURE SOLUTION AND MOLECULAR DYNAMICS REFINEMENT OF THE YEAST CU,ZN ENZYME SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Djinovic, K, Gatti, G, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Marmocchi, F, Rotilio, G, Bolognesi, M.
登録日1991-06-14
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure solution and molecular dynamics refinement of the yeast Cu,Zn enzyme superoxide dismutase.
Acta Crystallogr.,Sect.B, 47, 1991
6ZSD
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BU of 6zsd by Molmil
Human mitochondrial ribosome in complex with mRNA, P-site tRNA and E-site tRNA
分子名称: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
著者Aibara, S, Singh, V, Modelska, A, Amunts, A.
登録日2020-07-15
公開日2020-09-16
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of mitochondrial translation.
Elife, 9, 2020
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
分子名称: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
著者Garcia-Pino, A.
登録日2022-05-09
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
4WUP
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BU of 4wup by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide
分子名称: 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-11-03
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
5AKC
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BU of 5akc by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 2
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.6 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
7ZUB
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BU of 7zub by Molmil
Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex
分子名称: (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ...
著者Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W.
登録日2022-05-12
公開日2022-11-23
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
5I8M
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BU of 5i8m by Molmil
Bicyclic antimibrocial peptides
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2, ...
著者Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
登録日2016-02-19
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
分子名称: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
著者Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
登録日2015-05-28
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
3OG6
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BU of 3og6 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin 28 receptor, ...
著者Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
登録日2010-08-16
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
5ID7
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BU of 5id7 by Molmil
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
4WYJ
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BU of 4wyj by Molmil
Adenovirus 3 head domain mutant V239D
分子名称: Fiber protein, SULFATE ION
著者Lieber, A, Zubieta, C, Fender, P.
登録日2014-11-17
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015

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