2MXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mxh by Molmil](/molmil-images/mine/2mxh) | |
3LTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ltb by Molmil](/molmil-images/mine/3ltb) | X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.6 A after 3 weeks of incubation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | Deposit date: | 2010-02-15 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins. Biochemistry, 49, 2010
|
|
3LT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lt8 by Molmil](/molmil-images/mine/3lt8) | A non-biological ATP binding protein with a single point mutation (D65V), that contributes to optimized folding and ligand binding, crystallized in the presence of 100 mM ATP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-D65V, CHLORIDE ION, ... | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | Deposit date: | 2010-02-15 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins. Biochemistry, 49, 2010
|
|
3LT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lt9 by Molmil](/molmil-images/mine/3lt9) | A non-biological ATP binding protein with a single point mutation (D65V), that contributes to optimized folding and ligand binding | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-D65V, CHLORIDE ION, ... | Authors: | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | Deposit date: | 2010-02-15 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins. Biochemistry, 49, 2010
|
|
1UW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uw1 by Molmil](/molmil-images/mine/1uw1) | |
1UUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uuo by Molmil](/molmil-images/mine/1uuo) | Rat dihydroorotate dehydrogenase (DHOD)in complex with brequinar | Descriptor: | 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S. | Deposit date: | 2004-01-08 | Release date: | 2004-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain Protein Sci., 13, 2004
|
|
1UUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uum by Molmil](/molmil-images/mine/1uum) | Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone | Descriptor: | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S. | Deposit date: | 2004-01-06 | Release date: | 2004-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain Protein Sci., 13, 2004
|
|
4U3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u3h by Molmil](/molmil-images/mine/4u3h) | Crystal structure of FN3con | Descriptor: | FN3con | Authors: | Porebski, B.T, McGowan, S, Buckle, A.M. | Deposit date: | 2014-07-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain. Protein Eng.Des.Sel., 28, 2015
|
|
8BCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bct by Molmil](/molmil-images/mine/8bct) | X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta | Descriptor: | 26alpha, 26beta, ACETATE ION, ... | Authors: | Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N. | Deposit date: | 2022-10-17 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology. Acs Synth Biol, 12, 2023
|
|
6O0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o0i by Molmil](/molmil-images/mine/6o0i) | NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6O0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o0c by Molmil](/molmil-images/mine/6o0c) | NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L | Descriptor: | Design construct XAA_GVDQ mutant M4L | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-15 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6PB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pb4 by Molmil](/molmil-images/mine/6pb4) | |
2BXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bxv by Molmil](/molmil-images/mine/2bxv) | Dual binding mode of a novel series of DHODH inhibitors | Descriptor: | 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ... | Authors: | Baumgartner, R, Walloschek, M, Karlik, M, Gotschlich, A, Tasler, S, Mies, J, Leban, J. | Deposit date: | 2005-07-27 | Release date: | 2006-08-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dual binding mode of a novel series of DHODH inhibitors. J. Med. Chem., 49, 2006
|
|
1M3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m3w by Molmil](/molmil-images/mine/1m3w) | Crystal Structure of a Molecular Maquette Scaffold | Descriptor: | H10H24, MERCURY (II) ION | Authors: | Huang, S.S, Gibney, B.R, Stayrook, S.E, Dutton, P.L, Lewis, M. | Deposit date: | 2002-07-01 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Structure of a Maquette Scaffold J.Mol.Biol., 326, 2003
|
|
1GSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gso by Molmil](/molmil-images/mine/1gso) | |
1F1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f1o by Molmil](/molmil-images/mine/1f1o) | STRUCTURAL STUDIES OF ADENYLOSUCCINATE LYASES | Descriptor: | ADENYLOSUCCINATE LYASE | Authors: | Toth, E.A, Yeates, T. | Deposit date: | 2000-05-19 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of adenylosuccinate lyase from Pyrobaculum aerophilum reveals an intracellular protein with three disulfide bonds. J.Mol.Biol., 301, 2000
|
|
2XI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xi3 by Molmil](/molmil-images/mine/2xi3) | HCV-H77 NS5B Polymerase Complexed With GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-25 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
|
|
2XI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xi2 by Molmil](/molmil-images/mine/2xi2) | HCV-H77 NS5B Apo Polymerase | Descriptor: | RNA-directed RNA polymerase, SULFATE ION | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-25 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
|
|
6C2U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c2u by Molmil](/molmil-images/mine/6c2u) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6C2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c2v by Molmil](/molmil-images/mine/6c2v) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8FG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fg6 by Molmil](/molmil-images/mine/8fg6) | |
4B77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b77 by Molmil](/molmil-images/mine/4b77) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
|
|
4B70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b70 by Molmil](/molmil-images/mine/4b70) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
|
|
4B78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b78 by Molmil](/molmil-images/mine/4b78) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
|
|
4B72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
|
|