5S9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s9p by Molmil](/molmil-images/mine/5s9p) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
|
|
5S9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s9q by Molmil](/molmil-images/mine/5s9q) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
|
|
5N71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n71 by Molmil](/molmil-images/mine/5n71) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | 分子名称: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
|
|
5N7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n7q by Molmil](/molmil-images/mine/5n7q) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-21 | 公開日 | 2017-12-27 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
|
|
3KXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kxw by Molmil](/molmil-images/mine/3kxw) | |
7JYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jyd by Molmil](/molmil-images/mine/7jyd) | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | 分子名称: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | 登録日 | 2020-08-30 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis To Be Published
|
|
7JYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jye by Molmil](/molmil-images/mine/7jye) | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | 分子名称: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | 登録日 | 2020-08-30 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis To Be Published
|
|
7L7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l7c by Molmil](/molmil-images/mine/7l7c) | |
7L76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l76 by Molmil](/molmil-images/mine/7l76) | |
5S9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s9r by Molmil](/molmil-images/mine/5s9r) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 分子名称: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
|
|
7LUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lui by Molmil](/molmil-images/mine/7lui) | |
7LSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lsm by Molmil](/molmil-images/mine/7lsm) | |
7LHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lhp by Molmil](/molmil-images/mine/7lhp) | |
4NL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nl4 by Molmil](/molmil-images/mine/4nl4) | |
7MCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mcf by Molmil](/molmil-images/mine/7mcf) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 分子名称: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-02 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
|
|
4NL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nl8 by Molmil](/molmil-images/mine/4nl8) | PriA Helicase Bound to SSB C-terminal Tail Peptide | 分子名称: | Primosome assembly protein PriA, Single-stranded DNA-binding protein, ZINC ION | 著者 | Bhattacharyya, B, George, N.P, Thurmes, T.M, Keck, J.L. | 登録日 | 2013-11-13 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (4.08 Å) | 主引用文献 | Structural mechanisms of PriA-mediated DNA replication restart. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7MCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mce by Molmil](/molmil-images/mine/7mce) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | 分子名称: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-02 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg.Med.Chem.Lett., 51, 2021
|
|
7D3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d3d by Molmil](/molmil-images/mine/7d3d) | Crystal structure of SPOP bound with a peptide | 分子名称: | GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein | 著者 | Yang, C.-G, Gan, J.H. | 登録日 | 2020-09-18 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells. Chin.J.Chem., 39, 2021
|
|
7YE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ye6 by Molmil](/molmil-images/mine/7ye6) | BAM-EspP complex structure with BamA-N427C/EspP-R1297C mutations in nanodisc | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | 著者 | Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H. | 登録日 | 2022-07-05 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of BAM-mediated outer membrane beta-barrel protein assembly. Nature, 617, 2023
|
|
7YE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ye4 by Molmil](/molmil-images/mine/7ye4) | BAM-EspP complex structure with BamA-G431C and G781C/EspP-N1293C and A1043C mutations in nanodisc | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | 著者 | Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H. | 登録日 | 2022-07-05 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of BAM-mediated outer membrane beta-barrel protein assembly. Nature, 617, 2023
|
|
1AGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aga by Molmil](/molmil-images/mine/1aga) | THE AGAROSE DOUBLE HELIX AND ITS FUNCTION IN AGAROSE GEL STRUCTURE | 分子名称: | beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose | 著者 | Arnott, S. | 登録日 | 1978-05-23 | 公開日 | 1980-03-28 | 最終更新日 | 2024-02-07 | 実験手法 | FIBER DIFFRACTION (3 Å) | 主引用文献 | The agarose double helix and its function in agarose gel structure. J.Mol.Biol., 90, 1974
|
|
1CQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cqq by Molmil](/molmil-images/mine/1cqq) | TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR | 分子名称: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, TYPE 2 RHINOVIRUS 3C PROTEASE | 著者 | Matthews, D, Ferre, R.A. | 登録日 | 1999-08-10 | 公開日 | 1999-09-20 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-assisted design of mechanism-based irreversible inhibitors of human rhinovirus 3C protease with potent antiviral activity against multiple rhinovirus serotypes. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
7UZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uzn by Molmil](/molmil-images/mine/7uzn) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | 分子名称: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | 著者 | Sheriff, S. | 登録日 | 2022-05-09 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.685 Å) | 主引用文献 | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties. Acs Med.Chem.Lett., 13, 2022
|
|
5NGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngi by Molmil](/molmil-images/mine/5ngi) | Structure of XcpQN012 | 分子名称: | Type II secretion system protein D | 著者 | Cambillau, C, Roussel, A, Trinh, T.N. | 登録日 | 2017-03-17 | 公開日 | 2018-01-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio, 8, 2017
|
|
4HYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hya by Molmil](/molmil-images/mine/4hya) | HYALURONIC ACID, THE ROLE OF DIVALENT CATIONS IN CONFORMATION AND PACKING | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid, CALCIUM ION | 著者 | Arnott, S. | 登録日 | 1977-11-20 | 公開日 | 1980-03-28 | 最終更新日 | 2024-02-28 | 実験手法 | FIBER DIFFRACTION (3 Å) | 主引用文献 | Hyaluronic acid: the role of divalent cations in conformation and packing. J.Mol.Biol., 117, 1977
|
|