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6NRD
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BU of 6nrd by Molmil
hTRiC-hPFD Class4
分子名称: Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ...
著者Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
登録日2019-01-23
公開日2019-06-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
5ESJ
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BU of 5esj by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
6NTC
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BU of 6ntc by Molmil
Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein
分子名称: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
著者Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F.
登録日2019-01-28
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
5ESK
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BU of 5esk by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with itraconazole
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
登録日2015-11-16
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5ELU
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BU of 5elu by Molmil
Isoform-specific inhibition of SUMO-dependent protein-protein interactions
分子名称: SULFATE ION, SUMO-Affirmer-S2B3, Small ubiquitin-related modifier 2
著者Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A.
登録日2015-11-05
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017
5EMF
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BU of 5emf by Molmil
Crystal structure of RNA r(GCUGCUGC) with antisense PNA p(GCAGCAGC)
分子名称: CHLORIDE ION, RNA (5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3'), antisense PNA p(GCAGCAGC)
著者Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W.
登録日2015-11-06
公開日2016-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs.
Nucleic Acids Res., 44, 2016
6NVM
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BU of 6nvm by Molmil
Crystal structure of 23S rRNA methyltransferase ErmE
分子名称: SULFATE ION, rRNA adenine N-6-methyltransferase
著者Stsiapanava, A, Selmer, M.
登録日2019-02-05
公開日2019-10-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of ErmE - 23S rRNA methyltransferase in macrolide resistance.
Sci Rep, 9, 2019
6NSQ
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BU of 6nsq by Molmil
Crystal structure of BRAF kinase domain bound to the inhibitor 2l
分子名称: 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf
著者Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F.
登録日2019-01-25
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.
Acs Med.Chem.Lett., 10, 2019
6O0Z
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BU of 6o0z by Molmil
Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium
分子名称: CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ...
著者Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S.
登録日2019-02-17
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
5EL4
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BU of 5el4 by Molmil
Structure of T. thermophilus 70S ribosome complex with mRNA and tRNALys in the A-site with a U-U mismatch in the first position
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Khusainov, I, Yusupov, M, Yusupova, G.
登録日2015-11-04
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Novel base-pairing interactions at the tRNA wobble position crucial for accurate reading of the genetic code.
Nat Commun, 7, 2016
5EUF
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BU of 5euf by Molmil
The crystal structure of a protease from Helicobacter pylori
分子名称: GLYCEROL, Protease, ZINC ION
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-18
公開日2015-12-02
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of a protease from Helicobacter pylori
To Be Published
6NT0
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BU of 6nt0 by Molmil
Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
著者Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
登録日2019-01-27
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6O28
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BU of 6o28 by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein KQPA and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
6O1V
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BU of 6o1v by Molmil
Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Zhang, Z, Liu, F, Chen, J, Levit, A, Shoichet, B.
登録日2019-02-21
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural identification of a hotspot on CFTR for potentiation.
Science, 364, 2019
6O29
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BU of 6o29 by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain
分子名称: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
著者Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-02-22
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
4V5N
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BU of 4v5n by Molmil
tRNA translocation on the 70S ribosome: the post- translocational translocation intermediate TI(POST)
分子名称: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T.
登録日2010-10-21
公開日2014-07-09
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites.
Nature, 468, 2010
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
6ZG0
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BU of 6zg0 by Molmil
SARM1 SAM1-2 domains
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y.
登録日2020-06-18
公開日2020-11-11
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
6Z8F
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BU of 6z8f by Molmil
Human Picobirnavirus D45-CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-16
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z8O
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BU of 6z8o by Molmil
Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
著者Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M.
登録日2020-06-02
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
6Z9M
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BU of 6z9m by Molmil
Pseudoatomic model of the pre-fusion conformation of glycoprotein B of Herpes simplex virus 1
分子名称: Envelope glycoprotein B
著者Vollmer, B, Prazak, V, Vasishtan, D, Jefferys, E.E, Hernandez-Duran, A, Vallbracht, M, Klupp, B, Mettenleiter, T.C, Backovic, M, Rey, F.A, Topf, M, Gruenewald, K.
登録日2020-06-04
公開日2020-10-07
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献The prefusion structure of herpes simplex virus glycoprotein B.
Sci Adv, 6, 2020
6ZD7
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BU of 6zd7 by Molmil
Crystal structure of YTHDC1 T379V mutant complex with m6A
分子名称: N-methyladenosine, SULFATE ION, YTH domain containing 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2020-06-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6ZDE
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BU of 6zde by Molmil
17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, 2,3,4,5,6-pentakis(fluoranyl)phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Badran, M.J, Heine, A, Klebe, G.
登録日2020-06-14
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with pentafluorophenol
To Be Published

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件を2024-09-11に公開中

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