7VRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vro by Molmil](/molmil-images/mine/7vro) | crystal structure of BRD2-BD1 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-23 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vrq by Molmil](/molmil-images/mine/7vrq) | crystal structure of BRD2-BD2 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-23 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vsf by Molmil](/molmil-images/mine/7vsf) | crystal structure of BRD2-BD1 in complex with purine derivative | 分子名称: | 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-26 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vs0 by Molmil](/molmil-images/mine/7vs0) | crystal structure of BRD2-BD2 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, Doxofylline, GLYCEROL | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vrk by Molmil](/molmil-images/mine/7vrk) | crystal structure of BRD2-BD1 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-23 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vrh by Molmil](/molmil-images/mine/7vrh) | crystal structure of BRD2-BD1 in complex with guanosine analog | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ... | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-22 | 公開日 | 2023-02-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vs1 by Molmil](/molmil-images/mine/7vs1) | crystal structure of BRD2-BD2 in complex with purine derivative | 分子名称: | 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vri by Molmil](/molmil-images/mine/7vri) | crystal structure of BRD2-BD2 in complex with guanosine analog | 分子名称: | 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2 | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-23 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7VRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vrz by Molmil](/molmil-images/mine/7vrz) | crystal structure of BRD2-BD1 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, Doxofylline, SULFATE ION | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
|
|
7SO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so1 by Molmil](/molmil-images/mine/7so1) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase p66, p51 RT | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2021-10-28 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.727 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
7SO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so4 by Molmil](/molmil-images/mine/7so4) | Crystal Structure of HIV-1 Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Bertoletti, N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Frey, K.M, Chan, A.H. | 登録日 | 2021-10-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
7SO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so3 by Molmil](/molmil-images/mine/7so3) | Crystal Structure of HIV-1 Reverse Transcriptase K103N/Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2021-10-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.767 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
1P6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p6k by Molmil](/molmil-images/mine/1p6k) | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | 著者 | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | 登録日 | 2003-04-29 | 公開日 | 2004-01-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
|
|
1P6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p6n by Molmil](/molmil-images/mine/1p6n) | Bovine endothelial NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | 著者 | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | 登録日 | 2003-04-29 | 公開日 | 2004-01-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
|
|
8UHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uho by Molmil](/molmil-images/mine/8uho) | |
7TEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7teo by Molmil](/molmil-images/mine/7teo) | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1 | 分子名称: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | 著者 | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | 登録日 | 2022-01-05 | 公開日 | 2022-08-10 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
|
|
7TEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tej by Molmil](/molmil-images/mine/7tej) | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle | 分子名称: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | 著者 | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | 登録日 | 2022-01-05 | 公開日 | 2022-08-10 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | 主引用文献 | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
|
|
3ZHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zhx by Molmil](/molmil-images/mine/3zhx) | Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue | 分子名称: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid | 著者 | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | 登録日 | 2012-12-30 | 公開日 | 2013-10-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem., 56, 2013
|
|
8ULD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uld by Molmil](/molmil-images/mine/8uld) | SARA CoV-2 3C-like protease in complex with GSK3487016A | 分子名称: | 1,2-ETHANEDIOL, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide, Replicase polyprotein 1a | 著者 | Williams, S.P, Concha, N.O. | 登録日 | 2023-10-16 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement. Bioorg.Med.Chem., 100, 2024
|
|
8UIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uif by Molmil](/molmil-images/mine/8uif) | |
8UIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uia by Molmil](/molmil-images/mine/8uia) | |
7SNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7snz by Molmil](/molmil-images/mine/7snz) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)amino)-5,7-dimethylindolizine-2-carbonitrile (JLJ604) | 分子名称: | (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile, 1,4-DIAMINOBUTANE, MAGNESIUM ION, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2021-10-28 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.368 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
7SO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so2 by Molmil](/molmil-images/mine/7so2) | Crystal Structure of HIV-1 Reverse Transcriptase Y181C Variant in Complex with (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ564) | 分子名称: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2021-10-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.089 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
7SO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so6 by Molmil](/molmil-images/mine/7so6) | Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | 分子名称: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. | 登録日 | 2021-10-29 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
7SNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7snp by Molmil](/molmil-images/mine/7snp) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-(2-morpholinoethoxy)phenoxy)phenyl)acrylonitrile (JLJ530) | 分子名称: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase p66, p51 RT | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2021-10-28 | 公開日 | 2022-03-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|