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6V64
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Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
著者Ruben, E.A, Chen, Z, Di Cera, E.
登録日2019-12-04
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
6CFD
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ADEP4 bound to E. faecium ClpP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
著者Lee, R.E, Griffith, E.C.
登録日2018-02-14
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
1HJK
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ALKALINE PHOSPHATASE MUTANT H331Q
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ...
著者Murphy, J.E, Stec, B, Ma, L, Kantrowitz, E.R.
登録日1997-05-30
公開日1997-10-15
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trapping and visualization of a covalent enzyme-phosphate intermediate.
Nat.Struct.Biol., 4, 1997
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
分子名称: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
著者Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
著者Leitans, J, Dvinskis, E, Tars, K.
登録日2023-02-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
6P7Q
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BU of 6p7q by Molmil
Structure of E. coli MS115-1 NucC, 5'-pApA bound form
分子名称: CHLORIDE ION, E. coli MS115-1 NucC, RNA (5'-R(P*AP*A)-3')
著者Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D.
登録日2019-06-06
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
1ACW
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SOLUTION NMR STRUCTURE OF P01, A NATURAL SCORPION PEPTIDE STRUCTURALLY ANALOGOUS TO SCORPION TOXINS SPECIFIC FOR APAMIN-SENSITIVE POTASSIUM CHANNEL, 25 STRUCTURES
分子名称: NATURAL SCORPION PEPTIDE P01
著者Blanc, E, Fremont, V, Sizun, P, Meunier, S, Van Rietschoten, J, Thevand, A, Bernassau, J.M, Darbon, H.
登録日1997-02-10
公開日1997-04-01
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of P01, a natural scorpion peptide structurally analogous to scorpion toxins specific for apamin-sensitive potassium channel.
Proteins, 24, 1996
3CAB
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BU of 3cab by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 7.0
分子名称: GLYCEROL, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-02-19
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
7ZHG
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BU of 7zhg by Molmil
High-resolution cryo-EM structure of Pyrococcus abyssi 30S ribosomal subunit bound to mRNA and initiator tRNA anticodon stem-loop
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Kazan, R, Bourgeois, G, Mechulam, Y, Coureux, P.D, Schmitt, E.
登録日2022-04-06
公開日2022-06-29
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.25 Å)
主引用文献Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
3CDN
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BU of 3cdn by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 4.0
分子名称: CHLORIDE ION, GLYCEROL, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-02-27
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
7Q1D
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BU of 7q1d by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ...
著者Pontillo, N, Guskov, A.
登録日2021-10-18
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
3CZ1
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BU of 3cz1 by Molmil
Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-04-27
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
7Q4K
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BU of 7q4k by Molmil
Erythromycin-stalled Escherichia coli 70S ribosome with streptococcal MsrDL nascent chain
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fostier, C.R, Ousalem, F, Soufari, H, Leroy, E.C, Ngo, S, Innis, A, Hashem, Y, Boel, G.
登録日2021-10-31
公開日2022-11-16
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Regulation of the macrolide resistance ABC-F translation factor MsrD.
Nat Commun, 14, 2023
6PYD
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Structure of 3E9 antibody Fab bound to marinobufagenin
分子名称: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ...
著者Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
登録日2019-07-29
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
7T82
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Crystal Structure of LEUKOCIDIN E/CENTYRIN S26/FAB B438
分子名称: Antibody Fab Heavy Chain, Antibody Fab Light Chain, Centyrin S26, ...
著者Luo, J, Malia, T.J, Buckley, P.T.
登録日2021-12-15
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Multivalent human antibody-centyrin fusion protein to prevent and treat Staphylococcus aureus infections.
Cell Host Microbe, 31, 2023
4QUN
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BU of 4qun by Molmil
Crystal structure of the PTPN3 (PTPH1) catalytic domain C842S mutant
分子名称: GLYCEROL, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 3
著者Chen, K.E, Meng, T.C, Wang, A.H.J.
登録日2014-07-11
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Reciprocal allosteric regulation of p38 gamma and PTPN3 involves a PDZ domain-modulated complex formation.
Sci.Signal., 7, 2014
7QFP
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BU of 7qfp by Molmil
Cryo-EM structure of Botulinum neurotoxin serotype E
分子名称: Botulinum neurotoxin
著者Kosenina, S, Martinez-Carranza, M, Davies, J.R, Masuyer, G, Stenmark, P.
登録日2021-12-06
公開日2022-01-26
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural Analysis of Botulinum Neurotoxins Type B and E by Cryo-EM.
Toxins, 14, 2021
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6GDR
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BU of 6gdr by Molmil
DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases
分子名称: ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
著者Williamson, A, Grigic, M, Leiros, H.K.S.
登録日2018-04-24
公開日2018-07-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Nucleic Acids Res., 46, 2018
4RG8
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Structural and biochemical studies of a moderately thermophilic Exonuclease I from Methylocaldum szegediense
分子名称: Exonuclease I, MAGNESIUM ION
著者Fei, L, Tian, S, Moysey, R, Misca, M, Barker, J.J, Smith, M.A, McEwan, P.A, Pilka, E.S, Crawley, L, Evans, T, Sun, D.
登録日2014-09-29
公開日2015-02-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense.
Plos One, 10, 2015
1B9G
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INSULIN-LIKE-GROWTH-FACTOR-1
分子名称: PROTEIN (GROWTH FACTOR IGF-1)
著者De Wolf, E, Gill, R, Geddes, S, Pitts, J, Wollmer, A, Grotzinger, J.
登録日1999-02-11
公開日1999-02-23
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of a mini IGF-1.
Protein Sci., 5, 1996
5KQZ
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BU of 5kqz by Molmil
Protease E35D-CaP2
分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016

223532

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