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6ACR
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BU of 6acr by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638
分子名称: Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2018-07-27
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
分子名称: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
分子名称: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5XT2
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BU of 5xt2 by Molmil
Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121
分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-16
公開日2018-05-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
3WWR
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BU of 3wwr by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile
分子名称: 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2014-06-27
公開日2014-12-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position.
J.Steroid Biochem.Mol.Biol., 148, 2015
1QG1
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BU of 1qg1 by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH AN SHC-DERIVED PEPTIDE
分子名称: PROTEIN (GROWTH FACTOR RECEPTOR BINDING PROTEIN), PROTEIN (SHC-DERIVED PEPTIDE)
著者Ogura, K.
登録日1999-04-19
公開日1999-04-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the SH2 domain of Grb2 complexed with the Shc-derived phosphotyrosine-containing peptide.
J.Mol.Biol., 289, 1999
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-29
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD8
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BU of 7dd8 by Molmil
S-3C1-F1 structure, one RBD is up and two RBDs are down, the up RBD binds with a 3C1 fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 chain
著者Cong, Y, Liu, C.X.
登録日2020-10-28
公開日2020-12-02
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK6
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BU of 7dk6 by Molmil
S-2H2-F2 structure, two RBDs are up and one RBD is down, each up RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK5
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BU of 7dk5 by Molmil
S-2H2-F1 structure, one RBD is up and two RBDs are down, only up RBD binds with a 2H2 Fab
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-24
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7EBQ
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BU of 7ebq by Molmil
The structural analysis of A.Muciniphila sulfatase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase
著者Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of the sulfatase AmAS from Akkermansia muciniphila.
Acta Crystallogr D Struct Biol, 77, 2021
7EBP
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BU of 7ebp by Molmil
The structural analysis of A.Muciniphila sulfatase
分子名称: CALCIUM ION, GLYCEROL, Sulfatase
著者Bao, R, Li, C.C, Tang, X.Y, Zhu, Y.B, Song, Y.J, Zhao, N.L, Huang, Q, Mou, X.Y, Luo, G.H, Liu, T.G.
登録日2021-03-10
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.80000055 Å)
主引用文献Structural analysis of the sulfatase AmAS from Akkermansia muciniphila.
Acta Crystallogr D Struct Biol, 77, 2021
6HUM
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BU of 6hum by Molmil
Structure of the photosynthetic complex I from Thermosynechococcus elongatus
分子名称: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ...
著者Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M.
登録日2018-10-09
公開日2019-01-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
1KLM
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BU of 1klm by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152
分子名称: (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R.M, Stammers, D.K, Stuart, D.I.
登録日1997-03-17
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor.
Proc.Natl.Acad.Sci.USA, 94, 1997
5C45
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BU of 5c45 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
分子名称: (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2015-06-17
公開日2015-10-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Selective small-molecule inhibition of an RNA structural element.
Nature, 526, 2015
2E5A
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BU of 2e5a by Molmil
Crystal Structure of Bovine Lipoyltransferase in Complex with Lipoyl-AMP
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, ACETIC ACID, Lipoyltransferase 1, ...
著者Fujiwara, K, Hosaka, H, Matsuda, M, Suzuki, M, Nakagawa, A.
登録日2006-12-19
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of bovine Lipoyltransferase in complex with lipoyl-AMP
J.Mol.Biol., 371, 2007
3QXM
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BU of 3qxm by Molmil
Crystal Structure of Human GluK2 Ligand-Binding Core in Complex with Novel Marine-Derived Toxins, Neodysiherbaine A
分子名称: (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, Glutamate receptor ionotropic, kainate 2
著者Unno, M, Sasaki, M, Ikeda-Saito, M.
登録日2011-03-02
公開日2011-10-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
6PAZ
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BU of 6paz by Molmil
OXIDIZED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS
分子名称: COPPER (II) ION, PSEUDOAZURIN
著者Adman, E.T, Libeu, C.A.P.
登録日1997-02-21
公開日1997-08-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
5GMF
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BU of 5gmf by Molmil
Crystal structure of monkey TLR7 in complex with guanosine and polyU
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, CALCIUM ION, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2016-07-14
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis Reveals that Toll-like Receptor 7 Is a Dual Receptor for Guanosine and Single-Stranded RNA
Immunity, 45, 2016

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