1XNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xnc by Molmil](/molmil-images/mine/1xnc) | |
1XND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xnd by Molmil](/molmil-images/mine/1xnd) | |
1XNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xnb by Molmil](/molmil-images/mine/1xnb) | |
1BCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bcx by Molmil](/molmil-images/mine/1bcx) | |
3DHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dhe by Molmil](/molmil-images/mine/3dhe) | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | Authors: | Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X. | Deposit date: | 1998-03-25 | Release date: | 1999-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J.Biol.Chem., 275, 2000
|
|
2G8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g8e by Molmil](/molmil-images/mine/2g8e) | Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Calpain-1 catalytic subunit, ... | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
|
|
2R9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9c by Molmil](/molmil-images/mine/2r9c) | Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-09-12 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions. J.Med.Chem., 51, 2008
|
|
2R9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9f by Molmil](/molmil-images/mine/2r9f) | Calpain 1 proteolytic core inactivated by ZLAK-3002, an alpha-ketoamide | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-09-12 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions. J.Med.Chem., 51, 2008
|
|
3BOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bow by Molmil](/molmil-images/mine/3bow) | Structure of M-calpain in complex with Calpastatin | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | Authors: | Hanna, R.A, Campbell, R.L, Davies, P.L. | Deposit date: | 2007-12-17 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin. Nature, 456, 2008
|
|
5C7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7r by Molmil](/molmil-images/mine/5c7r) | Revealing surface waters on an antifreeze protein by fusion protein crystallography | Descriptor: | Fusion protein of Maltose-binding periplasmic protein and Type-3 ice-structuring protein HPLC 12, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Sun, T, Gauthier, S, Campbell, R.L, Davies, P.L. | Deposit date: | 2015-06-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Revealing Surface Waters on an Antifreeze Protein by Fusion Protein Crystallography Combined with Molecular Dynamic Simulations. J.Phys.Chem.B, 119, 2015
|
|
3P4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p4g by Molmil](/molmil-images/mine/3p4g) | X-ray crystal structure of a hyperactive, Ca2+-dependent, beta-helical antifreeze protein from an Antarctic bacterium | Descriptor: | ACETATE ION, Antifreeze protein, CALCIUM ION, ... | Authors: | Garnham, C.P, Campbell, R.L, Davies, P.L. | Deposit date: | 2010-10-06 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anchored clathrate waters bind antifreeze proteins to ice. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3ULT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ult by Molmil](/molmil-images/mine/3ult) | Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein | Authors: | Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L. | Deposit date: | 2011-11-11 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site. J.Mol.Biol., 416, 2012
|
|
4KE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ke2 by Molmil](/molmil-images/mine/4ke2) | Crystal structure of the hyperactive Type I antifreeze from winter flounder | Descriptor: | Type I hyperactive antifreeze protein | Authors: | Sun, T, Lin, F.-H, Campbell, R.L, Allingham, J.S, Davies, P.L. | Deposit date: | 2013-04-25 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An antifreeze protein folds with an interior network of more than 400 semi-clathrate waters. Science, 343, 2014
|
|
2NQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nqi by Molmil](/molmil-images/mine/2nqi) | Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor. | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
|
|
2NQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nqg by Molmil](/molmil-images/mine/2nqg) | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
|
|
1TL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tl9 by Molmil](/molmil-images/mine/1tl9) | High resolution crystal structure of calpain I protease core in complex with leupeptin | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
|
|
1TLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tlo by Molmil](/molmil-images/mine/1tlo) | High resolution crystal structure of calpain I protease core in complex with E64 | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | Authors: | Moldoveanu, T, Campbell, R.L, Cuerrier, D, Davies, P.L. | Deposit date: | 2004-06-09 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol., 343, 2004
|
|
6BDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bdt by Molmil](/molmil-images/mine/6bdt) | |
6BGP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bgp by Molmil](/molmil-images/mine/6bgp) | |
6BJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bjd by Molmil](/molmil-images/mine/6bjd) | Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64 | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-3, ... | Authors: | Ye, Q, Campbell, R.L, Davies, P.L. | Deposit date: | 2017-11-06 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation. J. Biol. Chem., 293, 2018
|
|
6BKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bkj by Molmil](/molmil-images/mine/6bkj) | |
2G8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g8j by Molmil](/molmil-images/mine/2g8j) | Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor. | Descriptor: | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | Deposit date: | 2006-03-02 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography Biochemistry, 45, 2006
|
|
4KDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kdv by Molmil](/molmil-images/mine/4kdv) | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | Descriptor: | Antifreeze protein, CALCIUM ION | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | Deposit date: | 2013-04-25 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin. Febs J., 280, 2013
|
|
6XNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xnr by Molmil](/molmil-images/mine/6xnr) | Crystal structure of Rhagium Mordax antifreeze protein | Descriptor: | 1,2-ETHANEDIOL, Antifreeze protein | Authors: | Ye, Q, Eves, R, Campbell, R.L, Davies, P.L. | Deposit date: | 2020-07-04 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface. Biochem.J., 477, 2020
|
|
4KDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kdw by Molmil](/molmil-images/mine/4kdw) | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | Descriptor: | Antifreeze protein, CALCIUM ION, GLYCEROL | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | Deposit date: | 2013-04-25 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin. Febs J., 280, 2013
|
|