3RIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ril by Molmil](/molmil-images/mine/3ril) | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | Descriptor: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | Authors: | Orwig, S.D, Lieberman, R.L. | Deposit date: | 2011-04-13 | Release date: | 2012-03-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease Biochemistry, 50, 2011
|
|
5JCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jcj by Molmil](/molmil-images/mine/5jcj) | Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | Descriptor: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | Deposit date: | 2016-04-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs. J.Med.Chem., 59, 2016
|
|
4K7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k7r by Molmil](/molmil-images/mine/4k7r) | Crystal structures of CusC review conformational changes accompanying folding and transmembrane channel formation | Descriptor: | (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, Cation efflux system protein CusC | Authors: | Su, C.-C, Lei, H.-T, Bolla, J.R, Yu, E.W. | Deposit date: | 2013-04-17 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Crystal Structures of CusC Review Conformational Changes Accompanying Folding and Transmembrane Channel Formation. J.Mol.Biol., 426, 2014
|
|
6T7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t7n by Molmil](/molmil-images/mine/6t7n) | |
3PNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pnb by Molmil](/molmil-images/mine/3pnb) | |
2H7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h7w by Molmil](/molmil-images/mine/2h7w) | |
4HWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hwy by Molmil](/molmil-images/mine/4hwy) | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
|
|
3S8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s8h by Molmil](/molmil-images/mine/3s8h) | Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution | Descriptor: | 3-HYDROXY-PROPANOIC ACID, Dihydrodipicolinate synthase | Authors: | Kumar, M, Kaur, N, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-05-28 | Release date: | 2011-06-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution TO BE PUBLISHED
|
|
8PUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pui by Molmil](/molmil-images/mine/8pui) | human PHOX2B C-terminal domain including the polyA fragment at 298K | Descriptor: | Paired mesoderm homeobox protein 2B | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | Deposit date: | 2023-07-17 | Release date: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions. Nat Commun, 15, 2024
|
|
8PTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ptl by Molmil](/molmil-images/mine/8ptl) | human PHOX2B C-terminal domain including the polyA fragment at 278K | Descriptor: | Paired mesoderm homeobox protein 2B | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | Deposit date: | 2023-07-14 | Release date: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions. Nat Commun, 15, 2024
|
|
6SDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdp by Molmil](/molmil-images/mine/6sdp) | |
3PJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pjq by Molmil](/molmil-images/mine/3pjq) | Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation Tyr342His) in complex with lactose | Descriptor: | Trans-sialidase, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Oppezzo, P, Baraibar, M, Obal, G, Pritsch, O, Alzari, P.M, Buschiazzo, A. | Deposit date: | 2010-11-10 | Release date: | 2011-06-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an enzymatically inactive trans-sialidase-like lectin from Trypanosoma cruzi: the carbohydrate binding mechanism involves residual sialidase activity. Biochim.Biophys.Acta, 1814, 2011
|
|
6SE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6se2 by Molmil](/molmil-images/mine/6se2) | |
6SF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sf9 by Molmil](/molmil-images/mine/6sf9) | |
3RK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rk4 by Molmil](/molmil-images/mine/3rk4) | Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | Deposit date: | 2011-04-17 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31. Acta Crystallogr.,Sect.D, 70, 2014
|
|
6SDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdo by Molmil](/molmil-images/mine/6sdo) | |
6SDN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdn by Molmil](/molmil-images/mine/6sdn) | |
6SFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sfa by Molmil](/molmil-images/mine/6sfa) | |
6SDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdq by Molmil](/molmil-images/mine/6sdq) | |
4M36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m36 by Molmil](/molmil-images/mine/4m36) | |
4M37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m37 by Molmil](/molmil-images/mine/4m37) | |
1TZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tzj by Molmil](/molmil-images/mine/1tzj) | Crystal Structure of 1-aminocyclopropane-1-carboxylate deaminase complexed with d-vinyl glycine | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, D-VINYLGLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-10 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
|
|
8OF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8of2 by Molmil](/molmil-images/mine/8of2) | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | Deposit date: | 2023-03-13 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents. Eur.J.Med.Chem., 264, 2023
|
|
3P54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p54 by Molmil](/molmil-images/mine/3p54) | Crystal Structure of the Japanese Encephalitis Virus Envelope Protein, strain SA-14-14-2. | Descriptor: | envelope glycoprotein | Authors: | Luca, V.C, Nelson, C.A, AbiMansour, J.P, Diamond, M.S, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-07 | Release date: | 2010-12-08 | Last modified: | 2012-02-08 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of the Japanese encephalitis virus envelope protein. J.Virol., 86, 2012
|
|
3PAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pac by Molmil](/molmil-images/mine/3pac) | |