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4TXY
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Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.0001 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
3EHI
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BU of 3ehi by Molmil
Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive conformation
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Lovelace, L.L, Gibson, L.M, Johnson, S.R, Berger, S.H, Lebioda, L.
登録日2008-09-12
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation.
Protein Sci., 18, 2009
4RVQ
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BU of 4rvq by Molmil
PWI-like domain of Chaetomium thermophilum Brr2
分子名称: 1,2-ETHANEDIOL, Pre-mRNA splicing helicase-like protein, SULFATE ION
著者Absmeier, E, Rosenberger, L, Santos, K.F, Becke, C, Wahl, M.C.
登録日2014-11-27
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.135 Å)
主引用文献A noncanonical PWI domain in the N-terminal helicase-associated region of the spliceosomal Brr2 protein.
Acta Crystallogr.,Sect.D, 71, 2015
4KCD
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BU of 4kcd by Molmil
Crystal Structure of the NMDA Receptor GluN3A Ligand Binding Domain Apo State
分子名称: GLYCEROL, Glutamate receptor ionotropic, NMDA 3A
著者Yao, Y, Lau, A.Y, Mayer, M.L.
登録日2013-04-24
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics.
Structure, 21, 2013
4TW9
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BU of 4tw9 by Molmil
Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation
分子名称: CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ...
著者Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U.
登録日2014-06-30
公開日2014-07-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation.
J.Med.Chem., 57, 2014
4TYV
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BU of 4tyv by Molmil
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
分子名称: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose
著者Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
登録日2014-07-09
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
4TUU
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BU of 4tuu by Molmil
Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S.
登録日2014-06-24
公開日2014-08-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
3DOW
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BU of 3dow by Molmil
Complex structure of GABA type A receptor associated protein and its binding epitope on calreticulin
分子名称: CRT peptide, Gamma-aminobutyric acid receptor-associated protein, ZINC ION
著者Thielmann, Y, Weiergraeber, O.H, Willbold, D.
登録日2008-07-07
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural framework of the GABARAP-calreticulin interface - implications for substrate binding to endoplasmic reticulum chaperones.
Febs J., 276, 2009
6U5R
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BU of 6u5r by Molmil
Calcium-bound MthK closed state
分子名称: CALCIUM ION, Calcium-gated potassium channel MthK
著者Fan, C, Nimigean, C.M.
登録日2019-08-28
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ball-and-chain inactivation in a calcium-gated potassium channel.
Nature, 580, 2020
7MJ9
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BU of 7mj9 by Molmil
HLA-A*02:01 bound to Neuroblastoma Derived mutant IGFBPL1 peptide
分子名称: Beta-2-microglobulin, Insulin-like growth factor-binding protein-like 1 altered peptide, MHC class I antigen
著者Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
登録日2021-04-19
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
7MJ6
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BU of 7mj6 by Molmil
HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide
分子名称: Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ...
著者Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
登録日2021-04-19
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
7MJ7
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BU of 7mj7 by Molmil
HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide
分子名称: Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ...
著者Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
登録日2021-04-19
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
7MJA
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BU of 7mja by Molmil
HLA-A*24:02 bound to Neuroblastoma derived PHOX2B peptide
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
登録日2021-04-19
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
7MJ8
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BU of 7mj8 by Molmil
HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide
分子名称: Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ...
著者Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G.
登録日2021-04-19
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs.
Nature, 599, 2021
4TNE
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BU of 4tne by Molmil
Crystal Structure of Human Transthyretin Thr119Tyr Mutant
分子名称: GLYCEROL, Transthyretin
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-06-03
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TPJ
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BU of 4tpj by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
分子名称: ALA-ALA-ALA, DODECYL-BETA-D-MALTOSIDE, Proton:oligopeptide symporter POT family, ...
著者Guettou, F, Quistgaard, E, Raba, M, Moberg, P, Low, C, Nordlund, P.
登録日2014-06-07
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
4TQG
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BU of 4tqg by Molmil
Crystal structure of Megavirus UDP-GlcNAc 4,6-dehydratase, 5-epimerase Mg534
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative dTDP-d-glucose 4 6-dehydratase
著者Jeudy, S, Piacente, F, De Castro, C, Molinaro, A, Salis, A, Damonte, G, Bernardi, C, Tonetti, M, Claverie, J.M, Abergel, C.
登録日2014-06-11
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Giant Virus Megavirus chilensis Encodes the Biosynthetic Pathway for Uncommon Acetamido Sugars.
J.Biol.Chem., 289, 2014
6U5P
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BU of 6u5p by Molmil
Calcium-bound MthK gating ring state 1
分子名称: CALCIUM ION, Calcium-gated potassium channel MthK
著者Fan, C, Nimigean, C.M.
登録日2019-08-28
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ball-and-chain inactivation in a calcium-gated potassium channel.
Nature, 580, 2020
4TVK
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BU of 4tvk by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR
分子名称: 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pesaresi, A, Samez, S, Lamba, D.
登録日2014-06-27
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects.
J.Med.Chem., 57, 2014
3HAQ
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BU of 3haq by Molmil
Crystal structure of bacteriorhodopsin mutant I148A crystallized from bicelles
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ...
著者Joh, N.H, Yang, D, Bowie, J.U.
登録日2009-05-02
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
5FH5
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BU of 5fh5 by Molmil
The structure of rat cytosolic PEPCK variant E89Q in complex with phosphoglycolate and GDP
分子名称: 2-PHOSPHOGLYCOLIC ACID, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
7MRW
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BU of 7mrw by Molmil
Native RhopH complex of the malaria parasite Plasmodium falciparum
分子名称: Cytoadherence linked asexual protein 3.1, High molecular weight rhoptry protein 2, High molecular weight rhoptry protein 3
著者Ho, C.M, Jih, J, Lai, M, Li, X.R, Goldberg, D.E, Beck, J.R, Zhou, Z.H.
登録日2021-05-10
公開日2021-09-15
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Native structure of the RhopH complex, a key determinant of malaria parasite nutrient acquisition.
Proc.Natl.Acad.Sci.USA, 118, 2021
4TLS
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BU of 4tls by Molmil
Crystal Structure of Human Transthyretin Glu92Pro Mutant
分子名称: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
著者Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
登録日2014-05-30
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
3HAN
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BU of 3han by Molmil
Crystal structure of bacteriorhodopsin mutant V49A crystallized from bicelles
分子名称: Bacteriorhodopsin, RETINAL
著者Joh, N.H, Yang, D, Bowie, J.U.
登録日2009-05-02
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
4RRN
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BU of 4rrn by Molmil
8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors
分子名称: (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION
著者Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P.
登録日2014-11-06
公開日2014-12-03
最終更新日2014-12-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014

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