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8BYH
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BU of 8byh by Molmil
Crystal structure of TrmD domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kluza, A, Lewandowska, I, Sulkowska, J.
登録日2022-12-12
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
7RX4
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BU of 7rx4 by Molmil
Cryo-EM reconstruction of AS2 nanotube (Form II like)
分子名称: AS2 peptide
著者Wang, F, Gnewou, O.M, Solemanifar, A, Xu, C, Egelman, E.H, Conticello, V.P.
登録日2021-08-21
公開日2021-09-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM of Helical Polymers.
Chem.Rev., 122, 2022
5T4L
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BU of 5t4l by Molmil
PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via External Aldimine Formation
分子名称: (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid, Aspartate aminotransferase
著者Wu, R, Sanishvili, R, Belitsky, B.R, Juncosa, J.I, Le, H.V, Lehrer, H.J.S, Farley, M, Silverman, R.B, Petsko, G.A, Ringe, D, Liu, D.
登録日2016-08-29
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4GZM
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BU of 4gzm by Molmil
Crystal structure of RAC1 F28L mutant
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2012-09-06
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAC1P29S is a spontaneously activating cancer-associated GTPase.
Proc.Natl.Acad.Sci.USA, 110, 2013
7LQF
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BU of 7lqf by Molmil
Cryo-EM of KFE8 ribbon filament
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
4N0D
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BU of 4n0d by Molmil
Crystal structure of the K345L variant of the Gi alpha1 subunit bound to GTPgammaS
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION, ...
著者Thaker, T.M, Preininger, A.M, Sarwar, M, Hamm, H.E, Iverson, T.M.
登録日2013-10-01
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Transient Interaction between the Phosphate Binding Loop and Switch I Contributes to the Allosteric Network between Receptor and Nucleotide in G alpha i1.
J.Biol.Chem., 289, 2014
6M8H
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BU of 6m8h by Molmil
Crystal Structure of the R208Q mutant of G(i) subunit alpha-1
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D.
登録日2018-08-21
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
3M89
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BU of 3m89 by Molmil
Structure of TubZ-GTP-g-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, FtsZ/tubulin-related protein
著者Ni, L, Xu, W, Schumacher, M.A.
登録日2010-03-17
公開日2010-07-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献From the Cover: Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition.
Proc.Natl.Acad.Sci.USA, 107, 2010
7MLX
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BU of 7mlx by Molmil
SARS-CoV-2 programmed -1 frameshifting element three stem H-type pseudoknot
分子名称: BL3-6 Fab Heavy Chain, BL3-6 Fab Light Chain, RNA (65-MER)
著者Roman, C, Lewicka, A.
登録日2021-04-29
公開日2021-08-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The SARS-CoV-2 Programmed -1 Ribosomal Frameshifting Element Crystal Structure Solved to 2.09 angstrom Using Chaperone-Assisted RNA Crystallography.
Acs Chem.Biol., 16, 2021
4CHI
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BU of 4chi by Molmil
(R)-selective amine transaminase from Aspergillus fumigatus at 1.27 A resolution
分子名称: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2013-12-02
公開日2014-04-30
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystallographic Characterization of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus.
Acta Crystallogr.,Sect.D, 70, 2014
3DV1
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BU of 3dv1 by Molmil
Crystal structure of human beta-secretase in complex with NVP-ARV999
分子名称: (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2008-07-18
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
5VQ6
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BU of 5vq6 by Molmil
Crystal structure of human WT-KRAS in complex with GTP-gamma-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-08
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
4FFC
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BU of 4ffc by Molmil
Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase (GabT)
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-31
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5VPZ
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BU of 5vpz by Molmil
Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION
著者Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
登録日2017-05-06
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
6JIK
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BU of 6jik by Molmil
Aspergillus fumigatus Rho1 GsGTP
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1
著者Bartual, S.G, Van Aalten, D.M.F.
登録日2019-02-22
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Aspergillus fumigatus Rho1 gSGTP complex
To Be Published
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
分子名称: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
2GVZ
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BU of 2gvz by Molmil
Crystal Structure of Complex of Gs- with The Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with MANT-ATP and Mn
分子名称: 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ...
著者Mou, T.-C, Sprang, S.R.
登録日2006-05-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
2GVD
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BU of 2gvd by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With TNP-ATP and Mn
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
著者Mou, T.-C, Sprang, S.R.
登録日2006-05-02
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
7T6E
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BU of 7t6e by Molmil
Cryo-EM of NBD-ffsy filaments (class 1)
分子名称: NBD-ffsy peptide
著者Wang, F, Guo, J, Xu, B, Egelman, E.H.
登録日2021-12-13
公開日2023-01-25
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
4HKQ
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BU of 4hkq by Molmil
XMRV reverse transcriptase in complex with RNA/DNA hybrid
分子名称: DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*A*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), RNA (5'-R(*AP*AP*CP*AP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*CP*AP*U)-3'), Reverse transcriptase/ribonuclease H p80
著者Nowak, E, Potrzebowski, W, Konarev, P.V, Rausch, J.W, Bona, M.K, Svergun, D.I, Bujnicki, J.M, Le Grice, S.F.J, Nowotny, M.
登録日2012-10-15
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid
Nucleic Acids Res., 41, 2013
5JGN
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BU of 5jgn by Molmil
Spin-Labeled T4 Lysozyme Construct I9V1
分子名称: CHLORIDE ION, Endolysin, PHOSPHATE ION, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
5JGR
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BU of 5jgr by Molmil
Spin-Labeled T4 Lysozyme Construct K43V1
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
5JGX
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BU of 5jgx by Molmil
Spin-Labeled T4 Lysozyme Construct V131V1
分子名称: CHLORIDE ION, Endolysin, PHOSPHATE ION, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.533 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
7P40
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P5C3 is a potent fab neutralizer
分子名称: Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL)
著者perez, L.
登録日2021-07-09
公開日2021-10-13
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
8R32
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BU of 8r32 by Molmil
Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 A resolution
分子名称: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, GLUTAMIC ACID, ...
著者Bay, Y, Jeppesen, M.E, Frydenvang, K, Kastrup, J.S.
登録日2023-11-08
公開日2024-09-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2.
Febs Lett., 598, 2024

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