2VOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vom by Molmil](/molmil-images/mine/2vom) | Structural basis of human triosephosphate isomerase deficiency. Mutation E104D and correlation to solvent perturbation. | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Rodriguez-Almazan, C, Arreola-Alemon, R, Rodriguez-Larrea, D, Aguirre-Lopez, B, de Gomez-Puyou, M.T, Perez-Montfort, R, Costas, M, Gomez-Puyou, A, Torres-Larios, A. | Deposit date: | 2008-02-19 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of Human Triosephosphate Isomerase Deficiency: Mutation E104D is Related to Alterations of a Conserved Water Network at the Dimer Interface. J.Biol.Chem., 283, 2008
|
|
1NP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1np0 by Molmil](/molmil-images/mine/1np0) | Human lysosomal beta-hexosaminidase isoform B in complex with intermediate analogue NAG-thiazoline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit beta, ... | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | Deposit date: | 2003-01-16 | Release date: | 2003-04-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease J.Mol.Biol., 327, 2003
|
|
2W07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w07 by Molmil](/molmil-images/mine/2w07) | Structural determinants of polymerization reactivity of the P pilus adaptor subunit PapF | Descriptor: | CHAPERONE PROTEIN PAPD, MINOR PILIN SUBUNIT PAPF, SULFATE ION | Authors: | Verger, D, Rose, R.J, Paci, E, Costakes, G, Daviter, T, Hultgren, S, Remaut, H, Ashcroft, A.E, Radford, S.E, Waksman, G. | Deposit date: | 2008-08-12 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Determinants of Polymerization Reactivity of the P Pilus Adaptor Subunit Papf. Structure, 16, 2008
|
|
1NVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvx by Molmil](/molmil-images/mine/1nvx) | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2003-02-04 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
|
|
3ODK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3odk by Molmil](/molmil-images/mine/3odk) | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3O1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o1e by Molmil](/molmil-images/mine/3o1e) | Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. | Descriptor: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2010-07-21 | Release date: | 2011-07-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
|
|
2VNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vnn by Molmil](/molmil-images/mine/2vnn) | Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2008-02-05 | Release date: | 2008-05-20 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability. J.Med.Chem., 51, 2008
|
|
8RFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rfe by Molmil](/molmil-images/mine/8rfe) | CgsiGP2 sample in nanodisc | Descriptor: | Cyclic beta 1-2 glucan synthetase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose | Authors: | Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C. | Deposit date: | 2023-12-12 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens. Nat Commun, 15, 2024
|
|
3OE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oe7 by Molmil](/molmil-images/mine/3oe7) | Structure of four mutant forms of yeast f1 ATPase: gamma-I270T | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | Authors: | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | Deposit date: | 2010-08-12 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling. J.Biol.Chem., 285, 2010
|
|
2VXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vxa by Molmil](/molmil-images/mine/2vxa) | H. halophila dodecin in complex with riboflavin | Descriptor: | CHLORIDE ION, DODECIN, RIBOFLAVIN | Authors: | Grininger, M, Staudt, H, Johansson, P, Wachtveitl, J, Oesterhelt, D. | Deposit date: | 2008-07-01 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dodecin is the Key Player in Flavin Homeostasis of Archaea. J.Biol.Chem., 284, 2009
|
|
2VUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vun by Molmil](/molmil-images/mine/2vun) | The Crystal Structure of Enamidase at 1.9 A Resolution - A new Member of the Amidohydrolase Superfamily | Descriptor: | CHLORIDE ION, ENAMIDASE, FE (III) ION, ... | Authors: | Kress, D, Alhapel, A, Pierik, A.J, Essen, L.-O. | Deposit date: | 2008-05-27 | Release date: | 2008-12-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Crystal Structure of Enamidase: A Bifunctional Enzyme of the Nicotinate Catabolism. J.Mol.Biol., 384, 2008
|
|
8QGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qgy by Molmil](/molmil-images/mine/8qgy) | |
1NTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ntk by Molmil](/molmil-images/mine/1ntk) | Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Antimycin A1 | Descriptor: | Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D. | Deposit date: | 2003-01-30 | Release date: | 2003-10-07 | Last modified: | 2016-03-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site Biochemistry, 42, 2003
|
|
1O27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o27 by Molmil](/molmil-images/mine/1o27) | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and BrdUMP at 2.3 A resolution | Descriptor: | 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2003-02-18 | Release date: | 2003-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein Structure, 11, 2003
|
|
8QX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qx5 by Molmil](/molmil-images/mine/8qx5) | Helical Carotenoid Protein 4 (HCP4) from Anabaena with bound Canthaxanthin | Descriptor: | Orange carotenoid-binding domain-containing protein, beta,beta-carotene-4,4'-dione | Authors: | Sklyar, J, Wilson, A, Kirilovsky, D, Adir, N. | Deposit date: | 2023-10-22 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into energy quenching mechanisms and carotenoid uptake by orange carotenoid protein homologs: HCP4 and CTDH. Int.J.Biol.Macromol., 265, 2024
|
|
1O2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o2o by Molmil](/molmil-images/mine/1o2o) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | Deposit date: | 2003-03-06 | Release date: | 2003-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
|
|
2W3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w3c by Molmil](/molmil-images/mine/2w3c) | Globular head region of the human general vesicular transport factor p115 | Descriptor: | DI(HYDROXYETHYL)ETHER, GENERAL VESICULAR TRANSPORT FACTOR P115 | Authors: | Striegl, H, Roske, Y, Kummel, D, Heinemann, U. | Deposit date: | 2008-11-11 | Release date: | 2009-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115 Plos One, 4, 2009
|
|
1O2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o2v by Molmil](/molmil-images/mine/1o2v) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
1O31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o31 by Molmil](/molmil-images/mine/1o31) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
1NVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nvw by Molmil](/molmil-images/mine/1nvw) | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2003-02-04 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
|
|
1O39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o39 by Molmil](/molmil-images/mine/1o39) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
1O3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o3f by Molmil](/molmil-images/mine/1o3f) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
2WCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wcg by Molmil](/molmil-images/mine/2wcg) | X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
|
|
1O3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o3l by Molmil](/molmil-images/mine/1o3l) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | (3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
2WF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wf1 by Molmil](/molmil-images/mine/2wf1) | Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
|
|