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Crystal structure of human placental aromatase complexed with breast cancer drug exemestane
分子名称:	(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
著者	Ghosh, D.
登録日	2011-05-26
公開日	2012-06-06
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (3.21 Å)
主引用文献	Novel aromatase inhibitors by structure-guided design. J.Med.Chem., 55, 2012

8X5L

The Crystal Structure of PRKACA from Biortus.
分子名称:	(2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
著者	Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
登録日	2023-11-17
公開日	2023-12-27
実験手法	X-RAY DIFFRACTION (2.75 Å)
主引用文献	The Crystal Structure of PRKACA from Biortus. To Be Published

4BV5

Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称:	4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
著者	Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日	2013-06-25
公開日	2014-07-09
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published

2ZPQ

Crystal structure of anionic trypsin isoform 1 from chum salmon
分子名称:	Anionic trypsin, BENZAMIDINE, CALCIUM ION, ...
著者	Iyaguchi, D, Toyota, E.
登録日	2008-07-28
公開日	2009-07-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	A structural comparison of three isoforms of anionic trypsin from chum salmon (Oncorhynchus keta). Acta Crystallogr.,Sect.D, 65, 2009

4C12

X-ray Crystal Structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys and ADP
分子名称:	ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者	Fulop, V, Roper, D.I, Ruane, K.M, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
登録日	2013-08-09
公開日	2013-10-02
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Specificity Determinants for Lysine Incorporation in Staphylococcus Aureus Peptidoglycan as Revealed by the Structure of a Mure Enzyme Ternary Complex. J.Biol.Chem., 288, 2013

8X1V

NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
分子名称:	DNA (5'-D(APAPGPGPGPAPAPGPGPGPAPA)-3')
著者	Wang, Y, Guo, P, Han, D.
登録日	2023-11-08
公開日	2024-01-17
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS. Nucleic Acids Res., 52, 2024

8WAF

Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1
分子名称:	Protein CHUP1, chloroplastic
著者	Shimada, A, Takano, A, Nakamura, Y, Kohda, D.
登録日	2023-09-07
公開日	2024-01-17
最終更新日	2024-04-10
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024

8WAG

Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
分子名称:	Protein CHUP1, chloroplastic
著者	Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
登録日	2023-09-07
公開日	2024-01-17
最終更新日	2024-04-10
実験手法	X-RAY DIFFRACTION (3.003 Å)
主引用文献	CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024

2E4U

Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with L-glutamate
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 3
著者	Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
登録日	2006-12-17
公開日	2007-02-27
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Structures of the extracellular regions of the group II/III metabotropic glutamate receptors Proc.Natl.Acad.Sci.Usa, 104, 2007

2VTJ

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称:	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者	Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日	2008-05-15
公開日	2008-08-05
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008

8X43

human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称:	Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者	Ma, D, Guo, J.
登録日	2023-11-15
公開日	2024-01-17
最終更新日	2024-07-17
実験手法	ELECTRON MICROSCOPY (3 Å)
主引用文献	A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024

6BOJ

Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ...
著者	Fox III, D, Fairman, J.W, Gurney, M.E.
登録日	2017-11-20
公開日	2018-08-22
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice. Neuropsychopharmacology, 43, 2018

2VTT

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称:	4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者	Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日	2008-05-15
公開日	2008-08-05
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.68 Å)
主引用文献	Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008

8VKP

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.77 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

2E2I

RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dGTP
分子名称:	2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 28-MER DNA template strand, 5'-D(CPTPGPCPTPTPAPTPCPGPGPTPAPG)-3', ...
著者	Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
登録日	2006-11-14
公開日	2006-12-19
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (3.41 Å)
主引用文献	Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006

8VKK

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.81 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

8VKO

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.68 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

2E4Y

Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 2R,4R-APDC
分子名称:	(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
著者	Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
登録日	2006-12-17
公開日	2007-02-27
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (3.4 Å)
主引用文献	Structures of the extracellular regions of the group II/III metabotropic glutamate receptors Proc.Natl.Acad.Sci.Usa, 104, 2007

8VKM

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 1)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.83 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

2ZLY

Structure of 6-aminohexanoate-dimer hydrolase, D370Y mutant
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者	Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日	2008-04-10
公開日	2009-04-21
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase. Protein Sci., 18, 2009

2ZM9

Structure of 6-Aminohexanoate-dimer Hydrolase, A61V/S112A/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94) with Substrate
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者	Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日	2008-04-14
公開日	2009-04-14
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase. Protein Sci., 18, 2009

8X83

The cryo-EM structure of insect gustatory receptor Gr43a I418A from Drosophila melanogaster in complex with fructose
分子名称:	Gustatory receptor for sugar taste 43a, SODIUM ION, beta-D-fructofuranose
著者	Ma, D, Guo, J.
登録日	2023-11-27
公開日	2024-02-07
最終更新日	2024-03-06
実験手法	ELECTRON MICROSCOPY (2.8 Å)
主引用文献	Structural basis for sugar perception by Drosophila gustatory receptors. Science, 383, 2024

8VKN

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (focused refinement of RBD and mouse ACE2)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.93 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

8VKL

Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者	Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日	2024-01-09
公開日	2024-02-14
実験手法	ELECTRON MICROSCOPY (2.91 Å)
主引用文献	SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published

2EEK

Crystal structure of Atlantic cod trypsin complexed with benzamidine
分子名称:	BENZAMIDINE, CALCIUM ION, SODIUM ION, ...
著者	Iyaguchi, D, Toyota, E.
登録日	2007-02-15
公開日	2008-02-19
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Crystal structure of Atlantic cod trypsin complexed with benzamidine To be Published

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