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4RX8
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BU of 4rx8 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2
分子名称: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX7
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BU of 4rx7 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
分子名称: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ...
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX9
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BU of 4rx9 by Molmil
SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-12-09
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
5W6E
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BU of 5w6e by Molmil
PDE1b complexed with compound 3S
分子名称: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
著者Vajdos, F.F.
登録日2017-06-16
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018
8AM4
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BU of 8am4 by Molmil
Cl-rsEGFP2 Long Wavelength Structure
分子名称: Green fluorescent protein
著者Orr, C.M, Fadini, A, van Thor, J.
登録日2022-08-02
公開日2023-08-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 2023
6U5C
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BU of 6u5c by Molmil
RT XFEL structure of CypA solved using MESH injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
5WR8
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BU of 5wr8 by Molmil
Thaumatin structure determined by SACLA at 1.55 Angstrom
分子名称: L(+)-TARTARIC ACID, Thaumatin I
著者Masuda, T, Suzuki, M, Inoue, S, Sugahara, M.
登録日2016-12-01
公開日2017-11-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
8AXW
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BU of 8axw by Molmil
The structure of mouse AsterC (GramD1c) with Ezetimibe
分子名称: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ...
著者Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R.
登録日2022-09-01
公開日2023-09-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
5LHR
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BU of 5lhr by Molmil
The catalytic domain of murine urokinase-type plasminogen activator in complex with the active site binding inhibitory nanobody Nb22
分子名称: Camelid-Derived Antibody Fragment Nb22, Urokinase-type plasminogen activator
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
5LHP
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BU of 5lhp by Molmil
The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
6TY5
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BU of 6ty5 by Molmil
Crystal structure of human TLR8 in complex with Compound 11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2020-01-15
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay.
J.Med.Chem., 63, 2020
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
著者Gajewski, S.
登録日2023-03-01
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
5LHN
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BU of 5lhn by Molmil
The catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, SULFATE ION, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
5LHQ
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BU of 5lhq by Molmil
The EGR-cmk active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
6U5G
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BU of 6u5g by Molmil
MicroED structure of a FIB-milled CypA Crystal
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
6U5D
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BU of 6u5d by Molmil
RT XFEL structure of CypA solved using LCP injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
5LHS
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BU of 5lhs by Molmil
The ligand free catalytic domain of murine urokinase-type plasminogen activator
分子名称: NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
5XFC
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BU of 5xfc by Molmil
Serial femtosecond X-ray structure of a stem domain of human O-mannose beta-1,2-N-acetylglucosaminyltransferase solved by Se-SAD using XFEL (refined against 13,000 patterns)
分子名称: 4-nitrophenyl beta-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Fumiaki, Y, Kato, R, Manya, H.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
5XFD
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BU of 5xfd by Molmil
Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)
分子名称: Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Kuwabara, N, Fumiaki, Y, Kato, R.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
5FOL
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BU of 5fol by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA)
分子名称: 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOM
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BU of 5fom by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOG
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BU of 5fog by Molmil
Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA)
分子名称: 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ...
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-20
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
著者Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
登録日2017-04-10
公開日2017-08-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
3HQR
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BU of 3hqr by Molmil
PHD2:Mn:NOG:HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009

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