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Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3)
分子名称:	Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
著者	Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日	2020-05-22
公開日	2020-06-24
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020

6X4Q

Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33)
分子名称:	(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者	Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日	2020-05-22
公開日	2020-06-24
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020

3CJW

Crystal structure of the human COUP-TFII ligand binding domain
分子名称:	COUP transcription factor 2
著者	Kruse, S.W, Reynolds, R, Vonrhein, C, Xu, H.E.
登録日	2008-03-14
公開日	2008-10-07
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.48 Å)
主引用文献	Identification of COUP-TFII Orphan Nuclear Receptor as a Retinoic Acid-Activated Receptor. Plos Biol., 6, 2008

6WJ0

Crystal structure of Fab 54-4H03
分子名称:	Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL
著者	Wu, N.C, Wilson, I.A.
登録日	2020-04-11
公開日	2020-07-01
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.802 Å)
主引用文献	Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020

6WIK

Cryo-EM structure of SLC40/ferroportin with Fab in the presence of hepcidin
分子名称:	11F9 Fab heavy-chain, 11F9 Fab light-chain, Solute carrier family 40 protein
著者	Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M.
登録日	2020-04-10
公開日	2020-11-11
最終更新日	2022-08-31
実験手法	ELECTRON MICROSCOPY (3.4 Å)
主引用文献	Structural basis of ion transport and inhibition in ferroportin. Nat Commun, 11, 2020

6X4O

Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21)
分子名称:	(2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者	Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日	2020-05-22
公開日	2020-06-24
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020

5W9I

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2020-07-29
実験手法	ELECTRON MICROSCOPY (3.6 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9O

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2020-01-01
実験手法	ELECTRON MICROSCOPY (4.5 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9J

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2019-12-11
実験手法	ELECTRON MICROSCOPY (4.8 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9P

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2020-01-01
実験手法	ELECTRON MICROSCOPY (4 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9M

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2019-12-11
実験手法	ELECTRON MICROSCOPY (4.7 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

3EFW

Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
分子名称:	1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
著者	Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
登録日	2008-09-10
公開日	2008-12-23
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.29 Å)
主引用文献	Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase. Bioorg.Med.Chem.Lett., 19, 2009

5J5S

Src kinase in complex with a sulfonamide inhibitor
分子名称:	N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
著者	Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M.
登録日	2016-04-03
公開日	2016-06-01
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.153 Å)
主引用文献	Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors To Be Published

4J6I

Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform
分子名称:	2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者	Murray, J.M, Rouge, L, Wu, P.
登録日	2013-02-11
公開日	2013-08-28
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013

3E73

Crystal Structure of Human LanCL1 complexed with GSH
分子名称:	GLUTATHIONE, LanC-like protein 1, ZINC ION
著者	Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
登録日	2008-08-17
公開日	2009-06-30
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione Genes Dev., 23, 2009

3E6U

Crystal structure of Human LanCL1
分子名称:	LanC-like protein 1, ZINC ION
著者	Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
登録日	2008-08-16
公開日	2009-06-23
最終更新日	2024-03-20
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione Genes Dev., 23, 2009

6I5O

Crystal structure of SPBc2 prophage-derived protein YomS
分子名称:	SPBc2 prophage-derived uncharacterized protein YomS
著者	Hakansson, M, Svensson, L.A, Welin, M, Al-Karadaghi, S.
登録日	2018-11-14
公開日	2019-11-20
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (1.33 Å)
主引用文献	Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallogr D Struct Biol, 75, 2019

5Y21

Crystal structure of AL2 PAL domain in complex with AtRing1a proximal site
分子名称:	AtRing1a proximal binding site peptide, PHD finger protein ALFIN-LIKE 2
著者	Peng, L, Wang, L.L, Huang, Y.
登録日	2017-07-22
公開日	2018-07-25
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.769 Å)
主引用文献	Structural Analysis of the Arabidopsis AL2-PAL and PRC1 Complex Provides Mechanistic Insight into Active-to-Repressive Chromatin State Switch J. Mol. Biol., 430, 2018

6I56

Crystal structure of PBSX exported protein XepA
分子名称:	GLYCEROL, Phage-like element PBSX protein XepA
著者	Hakansson, M, Svensson, L.A, Welin, M, Al-Karadaghi, S.
登録日	2018-11-13
公開日	2019-11-20
最終更新日	2024-05-15
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallogr D Struct Biol, 75, 2019

5W9L

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2019-12-11
実験手法	ELECTRON MICROSCOPY (4.8 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

6IA5

Crystal Structure Analysis of Bacillus subtilis 168 XepA
分子名称:	ACETATE ION, GLYCEROL, Phage-like element PBSX protein XepA
著者	Freitag-Pohl, S, Pohl, E.
登録日	2018-11-26
公開日	2019-11-20
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS. Acta Crystallogr D Struct Biol, 75, 2019

5W9H

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2020-07-29
実験手法	ELECTRON MICROSCOPY (4 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9N

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, MERS S
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2019-12-11
実験手法	ELECTRON MICROSCOPY (5 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

5W9K

MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称:	G4 VH, G4 VL, Spike glycoprotein
著者	Pallesen, J, Ward, A.B.
登録日	2017-06-23
公開日	2017-08-16
最終更新日	2019-12-11
実験手法	ELECTRON MICROSCOPY (4.6 Å)
主引用文献	Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017

2JBH

Human phosphoribosyl transferase domain containing 1
分子名称:	CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者	Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
登録日	2006-12-07
公開日	2006-12-20
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1. FEBS J., 277, 2010

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