7D5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d5l by Molmil](/molmil-images/mine/7d5l) | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | 分子名称: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | 著者 | Ghosh, K, Anumula, R, Kumar, A. | 登録日 | 2020-09-26 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 63, 2020
|
|
1YGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ygh by Molmil](/molmil-images/mine/1ygh) | HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE | 分子名称: | GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5) | 著者 | Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R. | 登録日 | 1999-05-27 | 公開日 | 1999-08-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
1BD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bd8 by Molmil](/molmil-images/mine/1bd8) | STRUCTURE OF CDK INHIBITOR P19INK4D | 分子名称: | P19INK4D CDK4/6 INHIBITOR | 著者 | Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. | 登録日 | 1998-05-12 | 公開日 | 1998-10-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a. Structure, 6, 1998
|
|
7D75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d75 by Molmil](/molmil-images/mine/7d75) | |
6Q27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q27 by Molmil](/molmil-images/mine/6q27) | N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus | 分子名称: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase | 著者 | Coombes, D, Horne, C.R, Davies, J.S, Dobson, R.C.J. | 登録日 | 2019-08-07 | 公開日 | 2020-01-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus. J.Biol.Chem., 295, 2020
|
|
6Q28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q28 by Molmil](/molmil-images/mine/6q28) | |
7VWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vww by Molmil](/molmil-images/mine/7vww) | |
7MFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfs by Molmil](/molmil-images/mine/7mfs) | |
7MFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfn by Molmil](/molmil-images/mine/7mfn) | |
7MQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mqt by Molmil](/molmil-images/mine/7mqt) | |
7O2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o2y by Molmil](/molmil-images/mine/7o2y) | |
7O3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7o3k by Molmil](/molmil-images/mine/7o3k) | |
7Q02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q02 by Molmil](/molmil-images/mine/7q02) | Zn-free structure of lipocalin-like Milk protein, inspired from Diploptera punctata, expressed in Saccharomyces cerevisiae | 分子名称: | Milk protein, PALMITOLEIC ACID | 著者 | Banerjee, S, Dhanabalan, K.V, Ramaswamy, S. | 登録日 | 2021-10-14 | 公開日 | 2021-12-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms. Biochim Biophys Acta Gen Subj, 1866, 2022
|
|
6JKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jku by Molmil](/molmil-images/mine/6jku) | Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ... | 著者 | Manjunath, L, Bose, S, Subramanian, R. | 登録日 | 2019-03-01 | 公開日 | 2020-03-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida. Proteins, 2020
|
|
6XT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xt2 by Molmil](/molmil-images/mine/6xt2) | EQADH-NADH-HEPTAFLUOROBUTANOL, P21 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,2,3,3,4,4,4-heptafluorobutan-1-ol, ... | 著者 | Plapp, B.V, Ramaswamy, S. | 登録日 | 2020-07-16 | 公開日 | 2020-08-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase. Arch.Biochem.Biophys., 701, 2021
|
|
6B8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b8f by Molmil](/molmil-images/mine/6b8f) | Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | 著者 | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | 登録日 | 2017-10-07 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks. Nature, 557, 2018
|
|
6B8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b8g by Molmil](/molmil-images/mine/6b8g) | Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | 著者 | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | 登録日 | 2017-10-07 | 公開日 | 2018-05-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks. Nature, 557, 2018
|
|
8QDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qdo by Molmil](/molmil-images/mine/8qdo) | Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus | 分子名称: | Protein pp71, TETRAETHYLENE GLYCOL | 著者 | Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S. | 登録日 | 2023-08-30 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus. Protein Sci., 33, 2024
|
|
5KJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kj1 by Molmil](/molmil-images/mine/5kj1) | G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V. | 登録日 | 2016-06-17 | 公開日 | 2016-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Dependence of crystallographic atomic displacement parameters on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenase. Acta Crystallogr D Struct Biol, 78, 2022
|
|
5ENM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5enm by Molmil](/molmil-images/mine/5enm) | Compound 10 | 分子名称: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
|
|
5ENK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5enk by Molmil](/molmil-images/mine/5enk) | Compound 18 | 分子名称: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
|
|
3S2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2a by Molmil](/molmil-images/mine/3s2a) | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | 分子名称: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2011-05-16 | 公開日 | 2011-06-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
|
|
7LVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvi by Molmil](/molmil-images/mine/7lvi) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | 分子名称: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | 著者 | Muckelbauer, J.K. | 登録日 | 2021-02-25 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
|
|
7LVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvh by Molmil](/molmil-images/mine/7lvh) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | 分子名称: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | 著者 | Muckelbauer, J.K. | 登録日 | 2021-02-25 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
|
|
5ZJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zjp by Molmil](/molmil-images/mine/5zjp) | |