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4ZYB
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BU of 4zyb by Molmil
High resolution structure of M23 peptidase LytM with substrate analogue
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Grabowska, M, Jagielska, E, Czapinska, H, Bochtler, M, Sabala, I.
登録日2015-05-21
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High resolution structure of an M23 peptidase with a substrate analogue.
Sci Rep, 5, 2015
7ARX
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BU of 7arx by Molmil
Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1
分子名称: DI(HYDROXYETHYL)ETHER, Mannan-binding lectin serine protease 1, SFMI1 - Sunflower MASP1 inhibitor
著者Durvanger, Z, Harmat, V, Dobo, J, Megyeri, M.
登録日2020-10-26
公開日2021-11-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides.
Acs Chem.Biol., 17, 2022
5ABM
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BU of 5abm by Molmil
Sheep aldehyde dehydrogenase 1A1
分子名称: MAGNESIUM ION, RETINAL DEHYDROGENASE 1, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
著者Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
登録日2015-08-07
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
5LF7
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BU of 5lf7 by Molmil
Human 20S proteasome complex with Ixazomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
2Y2G
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BU of 2y2g by Molmil
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (A01)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ...
著者Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A.
登録日2010-12-15
公開日2011-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
5ENB
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BU of 5enb by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5AO9
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BU of 5ao9 by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-native
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
登録日2015-09-10
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
1VNA
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BU of 1vna by Molmil
PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)SIMULATED ANNEALING STUDIES ON THE VARIANT-1 NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING
分子名称: NEUROTOXIN
著者Lee, W, Krishna, N.R.
登録日1993-10-26
公開日1994-01-31
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Proton nuclear magnetic resonance and distance geometry/simulated annealing studies on the variant-1 neurotoxin from the New World scorpion Centruroides sculpturatus Ewing.
Biochemistry, 33, 1994
3S6G
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BU of 3s6g by Molmil
Crystal structures of Seleno-substituted mutant mmNAGS in space group P212121
分子名称: 1,2-ETHANEDIOL, COENZYME A, MALONATE ION, ...
著者Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
登録日2011-05-25
公開日2012-04-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6681 Å)
主引用文献A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
1PUB
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BU of 1pub by Molmil
GM2-activator Protein crystal structure
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, GM2-activator protein
著者Wright, C.S, Zhao, Q, Rastinejad, F.
登録日2003-06-24
公開日2004-06-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural analysis of lipid complexes of GM2-activator protein.
J.Mol.Biol., 331, 2003
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
8OIR
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BU of 8oir by Molmil
55S human mitochondrial ribosome with mtRF1 and P-site tRNA
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
著者Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N.
登録日2023-03-23
公開日2023-06-14
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
8OIN
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BU of 8oin by Molmil
55S mammalian mitochondrial ribosome with mtRF1 and P-site tRNA
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S15, ...
著者Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N.
登録日2023-03-23
公開日2023-06-14
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
7AYJ
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BU of 7ayj by Molmil
Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
分子名称: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
登録日2020-11-12
公開日2021-05-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
4HN1
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BU of 4hn1 by Molmil
Crystal Structure of H60N/Y130F double mutant of ChmJ, a 3'-monoepimerase from Streptomyces bikiniensis in complex with dTDP
分子名称: 1,2-ETHANEDIOL, Putative 3-epimerase in D-allose pathway, THYMIDINE, ...
著者Holden, H.M, Kubiak, R.L.
登録日2012-10-18
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies on a 3'-Epimerase Involved in the Biosynthesis of dTDP-6-deoxy-d-allose.
Biochemistry, 51, 2012
3WYW
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BU of 3wyw by Molmil
Structural characterization of catalytic site of a Nilaparvata lugens delta-class glutathione transferase
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase
著者Yamamoto, K, Higashiura, A, Nakagawa, A.
登録日2014-09-09
公開日2015-01-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of the catalytic site of a Nilaparvata lugens delta-class glutathione transferase.
Arch.Biochem.Biophys., 566C, 2014
5TV3
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BU of 5tv3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
分子名称: (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
著者Modak, J.K, Roujeinikova, A.
登録日2016-11-07
公開日2017-09-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
4D7W
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BU of 4d7w by Molmil
Crystal structure of sortase C1 (SrtC1) from Streptococcus agalactiae
分子名称: 1,2-ETHANEDIOL, SORTASE FAMILY PROTEIN
著者Malito, E, Lazzarin, M, Cozzi, R, Bottomley, M.J.
登録日2014-11-28
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Noncanonical Sortase-Mediated Assembly of Pilus Type 2B in Group B Streptococcus.
Faseb J., 29, 2015
7EJ9
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BU of 7ej9 by Molmil
Alternative crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2
著者Miller, S.A, Hirota, T.
登録日2021-04-01
公開日2021-06-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation.
Proc.Natl.Acad.Sci.USA, 118, 2021
4HUG
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BU of 4hug by Molmil
Structure of 5-chlorouracil modified A:U base pairs
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*(UCL)P*CP*GP*CP*G)-3'), GLYCEROL, ...
著者Patra, A, Egli, M.
登録日2012-11-02
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
5WH5
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BU of 5wh5 by Molmil
Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
分子名称: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
7ZDZ
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BU of 7zdz by Molmil
Cryo-EM structure of the human inward-rectifier potassium 2.1 channel (Kir2.1)
分子名称: Inward rectifier potassium channel 2, POTASSIUM ION, STRONTIUM ION
著者Fernandes, C.A.H, Venien-Bryan, C, Fagnen, C, Zuniga, D.
登録日2022-03-30
公開日2022-09-28
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-electron microscopy unveils unique structural features of the human Kir2.1 channel.
Sci Adv, 8, 2022
1Y3O
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BU of 1y3o by Molmil
HIV-1 DIS RNA subtype F- Mn soaked
分子名称: 5'-R(*CP*UP*(5BU)P*GP*CP*UP*GP*AP*AP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MANGANESE (II) ION, SODIUM ION
著者Ennifar, E, Dumas, P.
登録日2004-11-26
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polymorphism of Bulged-out Residues in HIV-1 RNA DIS Kissing Complex and Structure Comparison with Solution Studies.
J.Mol.Biol., 356, 2006
6FTF
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BU of 6ftf by Molmil
Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution
分子名称: 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ...
著者Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M.
登録日2018-02-21
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09151936 Å)
主引用文献Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma.
Nat Commun, 10, 2019
7YX8
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BU of 7yx8 by Molmil
Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+
分子名称: GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ...
著者Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R.
登録日2022-02-15
公開日2022-07-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut.
Nat Commun, 13, 2022

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