1QBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qbv by Molmil](/molmil-images/mine/1qbv) | CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR | 分子名称: | Hirudin, THROMBIN (HEAVY CHAIN), THROMBIN (LIGHT CHAIN), ... | 著者 | Bone, R, Lu, T, Illig, C.R, Soll, R.M, Spurlino, J.C. | 登録日 | 1999-04-27 | 公開日 | 1999-10-27 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes. J.Med.Chem., 41, 1998
|
|
1MNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mnc by Molmil](/molmil-images/mine/1mnc) | STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET | 分子名称: | CALCIUM ION, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, NEUTROPHIL COLLAGENASE, ... | 著者 | Stams, T, Spurlino, J.C, Smith, D.L, Rubin, B. | 登録日 | 1994-01-12 | 公開日 | 1995-02-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of human neutrophil collagenase reveals large S1' specificity pocket. Nat.Struct.Biol., 1, 1994
|
|
7V12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v12 by Molmil](/molmil-images/mine/7v12) | Factor XIa in Complex with Compound 2f | 分子名称: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
|
|
7V0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v0z by Molmil](/molmil-images/mine/7v0z) | Factor XIa in Complex with Compound 2a | 分子名称: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
|
|
7V10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v10 by Molmil](/molmil-images/mine/7v10) | Factor XIa in Complex with Compound 2d | 分子名称: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | 著者 | Shaffer, P.L, Spurlino, J, Milligan, C.M. | 登録日 | 2022-05-11 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
|
|
3QQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qq9 by Molmil](/molmil-images/mine/3qq9) | Crystal structure of FAB fragment of anti-human RSV (RESPIRATORY SYNCYTIAL VIRUS) F Protein MAB 101F | 分子名称: | 101F HEAVY CHAIN, 101F LIGHT CHAIN, SULFATE ION | 著者 | Luo, J, Tsui, P, Spurlino, J, Lewansowski, F, Heavner, G.A, Del Vecchio, F. | 登録日 | 2011-02-15 | 公開日 | 2011-08-10 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal Structure of Fab 101F To be Published
|
|
5UE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ue3 by Molmil](/molmil-images/mine/5ue3) | proMMP-9desFnII | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ... | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | 登録日 | 2016-12-29 | 公開日 | 2017-09-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
|
|
3QRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qrg by Molmil](/molmil-images/mine/3qrg) | Crystal structure of antiRSVF Fab B21m | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Fab heavy chain Fd fragment, Fab light chain, ... | 著者 | Luo, J, Tsui, P, Lewandowski, F, Spurlino, J, Vecchio, F.D. | 登録日 | 2011-02-17 | 公開日 | 2011-08-10 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | 主引用文献 | Crystal structure anti-RSV Fab B21m To be Published
|
|
5UE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ue4 by Molmil](/molmil-images/mine/5ue4) | proMMP-9desFnII complexed to JNJ0966 INHIBITOR | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ... | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | 登録日 | 2016-12-29 | 公開日 | 2017-09-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
|
|
3N7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n7o by Molmil](/molmil-images/mine/3n7o) | X-ray structure of human chymase in complex with small molecule inhibitor. | 分子名称: | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ... | 著者 | Abad, M.C, Kervinen, J, Crysler, C, Bayoumy, S, Spurlino, J, Deckman, I, Greco, M.N, Maryanoff, B.E, Degaravilla, L. | 登録日 | 2010-05-27 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potency variation of small-molecule chymase inhibitors across species. Biochem. Pharmacol., 80, 2010
|
|
3NBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nbw by Molmil](/molmil-images/mine/3nbw) | X-ray structure of ketohexokinase in complex with a pyrazole compound | 分子名称: | 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ... | 著者 | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | 登録日 | 2010-06-04 | 公開日 | 2010-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.341 Å) | 主引用文献 | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
|
|
3NCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nca by Molmil](/molmil-images/mine/3nca) | X-ray structure of ketohexokinase in complex with a thieno pyridinol compound | 分子名称: | Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol | 著者 | Abad, M.C, Gibbs, A.C, Spurlino, J.C. | 登録日 | 2010-06-04 | 公開日 | 2010-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | 主引用文献 | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J.Med.Chem., 53, 2010
|
|
3NC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nc2 by Molmil](/molmil-images/mine/3nc2) | |
3NC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nc9 by Molmil](/molmil-images/mine/3nc9) | |