6UVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uve by Molmil](/molmil-images/mine/6uve) | Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | Descriptor: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1 | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvd by Molmil](/molmil-images/mine/6uvd) | Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid | Descriptor: | (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvh by Molmil](/molmil-images/mine/6uvh) | Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvf by Molmil](/molmil-images/mine/6uvf) | Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvg by Molmil](/molmil-images/mine/6uvg) | Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
7VKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vku by Molmil](/molmil-images/mine/7vku) | Cryo-EM structure of SAM-Tom40 intermediate complex | Descriptor: | Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ... | Authors: | Takeda, H, Tsutsumi, A, Kikkawa, M, Endo, T. | Deposit date: | 2021-10-01 | Release date: | 2023-01-04 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Author Correction: A multipoint guidance mechanism for beta-barrel folding on the SAM complex. Nat.Struct.Mol.Biol., 30, 2023
|
|
6A9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a9e by Molmil](/molmil-images/mine/6a9e) | Crystal structure of the N-terminal domain of Atg2 | Descriptor: | Endolysin,Autophagy-related protein 2 | Authors: | Osawa, T, Noda, N.N. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2019-04-17 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation. Nat. Struct. Mol. Biol., 26, 2019
|
|
6A9J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a9j by Molmil](/molmil-images/mine/6a9j) | Crystal structure of the PE-bound N-terminal domain of Atg2 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2 | Authors: | Osawa, T, Noda, N.N. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation. Nat. Struct. Mol. Biol., 26, 2019
|
|
6LEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6leh by Molmil](/molmil-images/mine/6leh) | Crystal structure of Autotaxin in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Nishimasu, H, Osamu, N. | Deposit date: | 2019-11-25 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain. J.Med.Chem., 63, 2020
|
|
6L93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l93 by Molmil](/molmil-images/mine/6l93) | |
3WEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wec by Molmil](/molmil-images/mine/3wec) | Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE | Descriptor: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yasutake, Y, Kitagawa, W, Tamura, T. | Deposit date: | 2013-07-03 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of the quinoline N-hydroxylating cytochrome P450 RauA, an essential enzyme that confers antibiotic activity on aurachin alkaloids Febs Lett., 588, 2014
|
|
7EBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ebt by Molmil](/molmil-images/mine/7ebt) | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form | Descriptor: | CALCIUM ION, GLUTATHIONE, Glutathione transferase | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
|
|
7EBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ebw by Molmil](/molmil-images/mine/7ebw) | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form | Descriptor: | 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
|
|
7EBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ebv by Molmil](/molmil-images/mine/7ebv) | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
|
|
7EBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ebu by Molmil](/molmil-images/mine/7ebu) | Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form | Descriptor: | 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ... | Authors: | Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R. | Deposit date: | 2021-03-11 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti. Bmc Biol., 20, 2022
|
|
5X17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x17 by Molmil](/molmil-images/mine/5x17) | Crystal structure of murine CK1d in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock Mol. Cell, 67, 2017
|
|
5X18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x18 by Molmil](/molmil-images/mine/5x18) | Crystal structure of Casein kinase I homolog 1 | Descriptor: | Casein kinase I homolog 1, GLYCEROL, MALONIC ACID | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock Mol. Cell, 67, 2017
|
|
1YDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ydt by Molmil](/molmil-images/mine/1ydt) | STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE | Descriptor: | C-AMP-DEPENDENT PROTEIN KINASE, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE | Authors: | Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | Deposit date: | 1996-07-24 | Release date: | 1997-04-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity. J.Biol.Chem., 271, 1996
|
|
5Y3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y3t by Molmil](/molmil-images/mine/5y3t) | Crystal structure of hetero-trimeric core of LUBAC: HOIP double-UBA complexed with HOIL-1L UBL and SHARPIN UBL | Descriptor: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, RanBP-type and C3HC4-type zinc finger-containing protein 1, ... | Authors: | Tokunaga, A, Fujita, H, Ariyoshi, M, Ohki, I, Tochio, H, Iwai, K, Shirakawa, M. | Deposit date: | 2017-07-31 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization. Cell Rep, 23, 2018
|
|
7EJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ejq by Molmil](/molmil-images/mine/7ejq) | |
7EJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ejr by Molmil](/molmil-images/mine/7ejr) | |
3AWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3awe by Molmil](/molmil-images/mine/3awe) | Crystal structure of Pten-like domain of Ci-VSP (248-576) | Descriptor: | ACETIC ACID, SODIUM ION, SULFATE ION, ... | Authors: | Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A. | Deposit date: | 2011-03-19 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity J.Biol.Chem., 286, 2011
|
|
5B18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b18 by Molmil](/molmil-images/mine/5b18) | Crystal Structure of a Darunavir Resistant HIV-1 Protease | Descriptor: | ACETATE ION, CHLORIDE ION, Protease | Authors: | Suzuki, K, Ode, H, Nakashima, M, Sugiura, W, Watanabe, N, Suzuki, A, Iwatani, Y. | Deposit date: | 2015-11-30 | Release date: | 2016-04-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance Front Microbiol, 7, 2016
|
|
3AWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3awf by Molmil](/molmil-images/mine/3awf) | Crystal structure of Pten-like domain of Ci-VSP (236-576) | Descriptor: | GLYCEROL, SULFATE ION, Voltage-sensor containing phosphatase | Authors: | Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A. | Deposit date: | 2011-03-19 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity J.Biol.Chem., 286, 2011
|
|
3AWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3awg by Molmil](/molmil-images/mine/3awg) | Crystal structure of Pten-like domain of Ci-VSP G356A mutant (248-576) | Descriptor: | SULFATE ION, Voltage-sensor containing phosphatase | Authors: | Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A. | Deposit date: | 2011-03-19 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity J.Biol.Chem., 286, 2011
|
|