5INI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ini by Molmil](/molmil-images/mine/5ini) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | 分子名称: | HEXANOYL-COENZYME A, Putative carboxyl transferase | 著者 | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | 登録日 | 2016-03-07 | 公開日 | 2016-12-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
|
|
5I0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i0g by Molmil](/molmil-images/mine/5i0g) | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with cycloalternan | 分子名称: | Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, Glycoside hydrolase family 31, SUCCINIC ACID | 著者 | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2016-02-03 | 公開日 | 2016-12-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
7PJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pj4 by Molmil](/molmil-images/mine/7pj4) | |
7PJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pj6 by Molmil](/molmil-images/mine/7pj6) | |
7PJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pj5 by Molmil](/molmil-images/mine/7pj5) | |
7PL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pl2 by Molmil](/molmil-images/mine/7pl2) | |
7PL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pl5 by Molmil](/molmil-images/mine/7pl5) | Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae | 分子名称: | CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase, TRIETHYLENE GLYCOL, ... | 著者 | Molina, R, Martinez Caballero, S, Hermoso, J.A. | 登録日 | 2021-08-28 | 公開日 | 2022-09-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep, 42, 2023
|
|
7PJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pj3 by Molmil](/molmil-images/mine/7pj3) | |
7PL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pl3 by Molmil](/molmil-images/mine/7pl3) | |
7POD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pod by Molmil](/molmil-images/mine/7pod) | |
4JOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4joa by Molmil](/molmil-images/mine/4joa) | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | 分子名称: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | 著者 | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | 登録日 | 2013-03-18 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
|
|
6Q9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9n by Molmil](/molmil-images/mine/6q9n) | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | 分子名称: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | 著者 | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | 登録日 | 2018-12-18 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
|
|
1GIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gij by Molmil](/molmil-images/mine/1gij) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | 分子名称: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA, CELL DIVISION PROTEIN KINASE 2 | 著者 | Ikuta, M, Nishimura, S. | 登録日 | 2001-02-06 | 公開日 | 2002-02-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2002
|
|
7Q6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6c by Molmil](/molmil-images/mine/7q6c) | complement C6 FIM1-2 bound to CP010 antibody | 分子名称: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | 著者 | Olesen, H.G, Andersen, G.R. | 登録日 | 2021-11-06 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.29274 Å) | 主引用文献 | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun, 2022
|
|
1GII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gii by Molmil](/molmil-images/mine/1gii) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | 分子名称: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | 著者 | Ikuta, M, Nishimura, S. | 登録日 | 2001-02-06 | 公開日 | 2002-02-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2001
|
|
1GIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gih by Molmil](/molmil-images/mine/1gih) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | 分子名称: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | 著者 | Ikuta, M, Nishimura, S. | 登録日 | 2001-02-06 | 公開日 | 2002-02-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein. J.Biol.Chem., 276, 2001
|
|
6QC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qc0 by Molmil](/molmil-images/mine/6qc0) | |
6QCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qcg by Molmil](/molmil-images/mine/6qcg) | |
4K2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k2y by Molmil](/molmil-images/mine/4k2y) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-09 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
|
|
5OAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oau by Molmil](/molmil-images/mine/5oau) | |
3I94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i94 by Molmil](/molmil-images/mine/3i94) | Crystal structure of PcyA-biliverdin XIII alpha complex | 分子名称: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SULFATE ION | 著者 | Hagiwara, Y, Sugishima, M, Fukuyama, K. | 登録日 | 2009-07-10 | 公開日 | 2009-10-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA). to be published
|
|
3I8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i8u by Molmil](/molmil-images/mine/3i8u) | Crystal structure of PcyA-181,182-dihydrobiliverdin complex | 分子名称: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | 著者 | Hagiwara, Y, Sugishima, M, Fukuyama, K. | 登録日 | 2009-07-10 | 公開日 | 2009-10-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA). To be Published
|
|
3I95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i95 by Molmil](/molmil-images/mine/3i95) | |
6M95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | 分子名称: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Okada, K. | 登録日 | 2018-08-22 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|
7OK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ok9 by Molmil](/molmil-images/mine/7ok9) | |