6TDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | 分子名称: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | 著者 | Raimi, O.G, Stanley, M, Lockhart, D. | 登録日 | 2019-11-08 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
|
|
8W1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w1n by Molmil](/molmil-images/mine/8w1n) | |
6TDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tdg by Molmil](/molmil-images/mine/6tdg) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | 分子名称: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | 著者 | Raimi, O.G, Stanley, M, Lockhart, D. | 登録日 | 2019-11-08 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
|
|
6NCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ncx by Molmil](/molmil-images/mine/6ncx) | |
6DZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dz7 by Molmil](/molmil-images/mine/6dz7) | |
6E1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e1o by Molmil](/molmil-images/mine/6e1o) | |
6E0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e0h by Molmil](/molmil-images/mine/6e0h) | |
6ZNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6znc by Molmil](/molmil-images/mine/6znc) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z. | 登録日 | 2020-07-06 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
|
|
6B3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3e by Molmil](/molmil-images/mine/6b3e) | |
6SHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6shz by Molmil](/molmil-images/mine/6shz) | |
6B3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3s by Molmil](/molmil-images/mine/6b3s) | |
1YDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ydh by Molmil](/molmil-images/mine/1ydh) | X-ray structure of a lysine decarboxylase-like protein from arabidopsis thaliana gene at5g11950 | 分子名称: | 1,2-ETHANEDIOL, At5g11950, NITRATE ION | 著者 | Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | 登録日 | 2004-12-23 | 公開日 | 2005-01-11 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | X-ray crystal structures of the conserved hypothetical proteins from Arabidopsis thaliana gene loci At5g11950 and AT2g37210. Proteins, 65, 2006
|
|
7B4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b4d by Molmil](/molmil-images/mine/7b4d) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
|
|
7B4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b4n by Molmil](/molmil-images/mine/7b4n) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II) | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
|
|
7B49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b49 by Molmil](/molmil-images/mine/7b49) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ... | 著者 | Rozenberg, H, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
|
|
7B4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b4f by Molmil](/molmil-images/mine/7b4f) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I) | 分子名称: | Cellular tumor antigen p53, DNA target, FORMIC ACID, ... | 著者 | Rozenberg, H, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
|
|
7K4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4f by Molmil](/molmil-images/mine/7k4f) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | 分子名称: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
|
|
7K4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4d by Molmil](/molmil-images/mine/7k4d) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG | 分子名称: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
|
|
7K4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4b by Molmil](/molmil-images/mine/7k4b) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine, CALCIUM ION, ... | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
|
|
6BSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bsk by Molmil](/molmil-images/mine/6bsk) | Human PIM1 kinase in complex with compound 12b | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2017-12-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
|
|
7A5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a5q by Molmil](/molmil-images/mine/7a5q) | Crystal structure of VcSiaP bound to sialic acid | 分子名称: | DctP family TRAP transporter solute-binding subunit, GLYCEROL, N-acetyl-beta-neuraminic acid, ... | 著者 | Schneberger, N, Peter, M.F, Hagelueken, G. | 登録日 | 2020-08-21 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Triggering Closure of a Sialic Acid TRAP Transporter Substrate Binding Protein through Binding of Natural or Artificial Substrates. J.Mol.Biol., 433, 2020
|
|
7K4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4c by Molmil](/molmil-images/mine/7k4c) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a | 分子名称: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
|
|
7K4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4e by Molmil](/molmil-images/mine/7k4e) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30 | 分子名称: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6 | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.34 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
|
|
7KXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kxl by Molmil](/molmil-images/mine/7kxl) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | 分子名称: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Gardberg, A. | 登録日 | 2020-12-04 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
|
|
7KXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kxm by Molmil](/molmil-images/mine/7kxm) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | 分子名称: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | 著者 | Gardberg, A. | 登録日 | 2020-12-04 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
|
|