5I3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3w by Molmil](/molmil-images/mine/5i3w) | |
5IE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
|
|
5IS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5is4 by Molmil](/molmil-images/mine/5is4) | |
5I70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i70 by Molmil](/molmil-images/mine/5i70) | Crystal Structure of plasmepsin IV | Descriptor: | Pepstatin A, Plasmepsin IV | Authors: | Asojo, O.A. | Deposit date: | 2016-02-16 | Release date: | 2016-03-09 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of plasmepsin IV To Be Published
|
|
5JOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jod by Molmil](/molmil-images/mine/5jod) | Structure of proplasmepsin IV from Plasmodium falciparum | Descriptor: | GLYCEROL, Proplasmepsin IV | Authors: | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | Deposit date: | 2016-05-02 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr.,Sect.F, 72, 2016
|
|
5KOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5koq by Molmil](/molmil-images/mine/5koq) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
|
|
5KOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kos by Molmil](/molmil-images/mine/5kos) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2016-11-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor. Acs Med.Chem.Lett., 7, 2016
|
|
5KQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kqf by Molmil](/molmil-images/mine/5kqf) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-06 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
|
|
5KR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kr8 by Molmil](/molmil-images/mine/5kr8) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-07 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
|
|
5ISJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5isj by Molmil](/molmil-images/mine/5isj) | |
5KOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kot by Molmil](/molmil-images/mine/5kot) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2017-07-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
|
|
5J25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j25 by Molmil](/molmil-images/mine/5j25) | Endothiapepsin in complex with fragment 158 | Descriptor: | 2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide, ACETATE ION, Endothiapepsin, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2016-03-29 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
1PSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pso by Molmil](/molmil-images/mine/1pso) | The crystal structure of human pepsin and its complex with pepstatin | Descriptor: | PEPSIN 3A, PEPSTATIN | Authors: | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | Deposit date: | 1995-01-23 | Release date: | 1995-04-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human pepsin and its complex with pepstatin. Protein Sci., 4, 1995
|
|
1QRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qrp by Molmil](/molmil-images/mine/1qrp) | Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | Descriptor: | PEPSIN 3A, methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | Authors: | Fujinaga, M, Cherney, M.M, Tarasova, N.I, Bartlett, P.A, Hanson, J.E, James, M.N.G. | Deposit date: | 1999-06-15 | Release date: | 1999-06-18 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog. Acta Crystallogr.,Sect.D, 56, 2000
|
|
1QS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qs8 by Molmil](/molmil-images/mine/1qs8) | Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A | Descriptor: | ACETATE ION, PEPSTATIN A, PLASMEPSIN | Authors: | Khazanovich Bernstein, N, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.G. | Deposit date: | 1999-06-25 | Release date: | 1999-07-07 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the activation of P. vivax plasmepsin. J.Mol.Biol., 329, 2003
|
|
1PPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ppk by Molmil](/molmil-images/mine/1ppk) | |
1PPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ppm by Molmil](/molmil-images/mine/1ppm) | |
1PSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1psa by Molmil](/molmil-images/mine/1psa) | STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR | Descriptor: | N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A | Authors: | Chen, L, Abad-Zapatero, C. | Deposit date: | 1991-10-22 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor. Acta Crystallogr.,Sect.B, 48, 1992
|
|
1SME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sme by Molmil](/molmil-images/mine/1sme) | PLASMEPSIN II, A HEMOGLOBIN-DEGRADING ENZYME FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH PEPSTATIN A | Descriptor: | PLASMEPSIN II, Pepstatin | Authors: | Silva, A.M, Lee, A.Y, Gulnik, S.V, Goldberg, D.E, Erickson, J.W. | Deposit date: | 1996-06-11 | Release date: | 1997-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum. Proc.Natl.Acad.Sci.USA, 93, 1996
|
|
1SGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sgz by Molmil](/molmil-images/mine/1sgz) | |
1PPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ppl by Molmil](/molmil-images/mine/1ppl) | |
1SMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1smr by Molmil](/molmil-images/mine/1smr) | |
1PSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1psn by Molmil](/molmil-images/mine/1psn) | THE CRYSTAL STRUCTURE OF HUMAN PEPSIN AND ITS COMPLEX WITH PEPSTATIN | Descriptor: | PEPSIN 3A | Authors: | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | Deposit date: | 1995-01-23 | Release date: | 1995-04-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human pepsin and its complex with pepstatin. Protein Sci., 4, 1995
|
|
1RNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rne by Molmil](/molmil-images/mine/1rne) | |
1PFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pfz by Molmil](/molmil-images/mine/1pfz) | PROPLASMEPSIN II FROM PLASMODIUM FALCIPARUM | Descriptor: | GLYCEROL, PROPLASMEPSIN II | Authors: | Bernstein, N.K, Cherney, M.M, Loetscher, H, Ridley, R.G, James, M.N.G. | Deposit date: | 1998-07-07 | Release date: | 1999-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum. Nat.Struct.Biol., 6, 1999
|
|