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6HYW
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BU of 6hyw by Molmil
THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Y119F
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2018-10-22
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YU1
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BU of 5yu1 by Molmil
Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase
分子名称: (2S)-piperidine-2-carboxylic acid, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H.
登録日2017-11-20
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.923 Å)
主引用文献Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
5NEQ
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BU of 5neq by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with aminoguanidine
分子名称: AMINOGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ...
著者Huang, L, Wang, J, Lilley, D.M.J.
登録日2017-03-11
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5IY5
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BU of 5iy5 by Molmil
Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T.
登録日2016-03-24
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
5EEL
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BU of 5eel by Molmil
Grb7 SH2 with bicyclic peptide inhibitor
分子名称: Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ...
著者Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A.
登録日2015-10-23
公開日2016-06-15
最終更新日2018-12-26
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Sci Rep, 6, 2016
5MOZ
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BU of 5moz by Molmil
OXA-10 Avibactam complex with bound Iodide
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ...
著者Brem, J.
登録日2016-12-15
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
7U4G
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BU of 7u4g by Molmil
Neuraminidase from influenza virus A/Shandong/9/1993(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Lei, R, Hernandez Garcia, A.
登録日2022-02-28
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase.
Nat Commun, 13, 2022
5EMG
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BU of 5emg by Molmil
Crystal structures of PNA p(GCTGCTGC)2 duplex containing T-T mismatches
分子名称: CHLORIDE ION, GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, SODIUM ION
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 (1.06 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
6HWS
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BU of 6hws by Molmil
Keap1 - inhibitor complex
分子名称: 1,2-ETHANEDIOL, 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid, Kelch-like ECH-associated protein 1, ...
著者Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D.
登録日2018-10-13
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Keap1-inhibitor complex
To Be Published
5Y3E
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BU of 5y3e by Molmil
Crystal structure of SARS coronavirus papain-like protease in complex with glycerol
分子名称: GLYCEROL, Replicase polyprotein 1a, SODIUM ION, ...
著者Lin, M.H, Chou, C.Y.
登録日2017-07-28
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
6F0N
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BU of 6f0n by Molmil
GLIC mutant E82A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6BFK
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BU of 6bfk by Molmil
Caspase-3 Mutant- T245A
分子名称: AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
4IQZ
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BU of 4iqz by Molmil
The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli
分子名称: DNA-directed RNA polymerase subunit beta', IODIDE ION, SODIUM ION
著者Bhandari, V, Sugiman-Marangos, S.N, Naushad, H.S, Gupta, R.S, Junop, M.S.
登録日2013-01-14
公開日2013-02-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli
To be Published
5N84
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BU of 5n84 by Molmil
TTK kinase domain in complex with Mps-BAY2b
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-22
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5OR7
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BU of 5or7 by Molmil
Atomic structure of the murine norovirus protruding domain and sCD300lf receptor complex
分子名称: CMRF35-like molecule 1, Capsid protein, SODIUM ION
著者Kilic, T, Hansman, G.S.
登録日2017-08-15
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Atomic Structure of the Murine Norovirus Protruding Domain and Soluble CD300lf Receptor Complex.
J. Virol., 92, 2018
5T77
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BU of 5t77 by Molmil
Crystal structure of the MOP flippase MurJ
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, ...
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2016-09-02
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the MOP flippase MurJ in an inward-facing conformation.
Nat. Struct. Mol. Biol., 24, 2017
6F0M
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BU of 6f0m by Molmil
GLIC mutant E35Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
2P66
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BU of 2p66 by Molmil
Human DNA Polymerase beta complexed with tetrahydrofuran (abasic site) containing DNA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*(3DR)P*GP*TP*CP*GP*G)-3'), ...
著者Prasad, R, Batra, V.K, Yang, X.-P, Krahn, J.M, Pedersen, L.C, Beard, W.A, Wilson, S.H.
登録日2007-03-16
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the DNA Polymerase beta deoxyribose phosphate lyase mechanism
DNA REPAIR, 4, 2005
2P76
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BU of 2p76 by Molmil
Crystal structure of a Glycerophosphodiester Phosphodiesterase from Staphylococcus aureus
分子名称: GLYCEROL, Glycerophosphoryl diester phosphodiesterase, SODIUM ION
著者Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-20
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a Glycerophosphodiester Phosphodiesterase from Staphylococcus aureus
To be Published
6F10
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BU of 6f10 by Molmil
GLIC mutant D88N
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-21
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
5TB9
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BU of 5tb9 by Molmil
Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)FTC-TP and Mn2+.
分子名称: 10- MER PRIMER, 16- MER TEMPLATE, 5-MER PHOSPHORYLATED DOWNSTREAM PRIMER, ...
著者Vyas, R, Suo, Z.
登録日2016-09-11
公開日2017-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase.
J. Am. Chem. Soc., 139, 2017
6AMH
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BU of 6amh by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R.
登録日2017-08-09
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6F0U
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BU of 6f0u by Molmil
GLIC mutant E35A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
5TEJ
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BU of 5tej by Molmil
Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH
分子名称: 2,5 Furan Dicarboxylic Acid, 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Mank, N, Arnette, K, Klapper, V, Chruszcz, M.
登録日2016-09-21
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
5TBB
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BU of 5tbb by Molmil
Postcatalytic ternary complex of Human DNA Polymerase Beta with Gapped DNA substrate, incorporated (-)FTC and PPi.
分子名称: 10- MER PRIMER, 16- MER TEMPLATE, 5-MER PHOSPHORYLATED DOWNSTREAM PRIMER, ...
著者Vyas, R, Suo, Z.
登録日2016-09-11
公開日2017-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase.
J. Am. Chem. Soc., 139, 2017

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