3ZZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zz3 by Molmil](/molmil-images/mine/3zz3) | Crystal structure of 3C protease mutant (N126Y) of coxsackievirus B3 | Descriptor: | 3C PROTEINASE | Authors: | Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-08-31 | Release date: | 2012-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Peptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations To be Published
|
|
6L12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l12 by Molmil](/molmil-images/mine/6l12) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
|
|
1TGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tgs by Molmil](/molmil-images/mine/1tgs) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION | Descriptor: | CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ... | Authors: | Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation. J.Mol.Biol., 162, 1982
|
|
3ZD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zd0 by Molmil](/molmil-images/mine/3zd0) | The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release | Descriptor: | P7 PROTEIN | Authors: | Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C. | Deposit date: | 2012-11-23 | Release date: | 2013-09-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release Hepatology, 59, 2014
|
|
6KYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kye by Molmil](/molmil-images/mine/6kye) | The crystal structure of recombinant human adult hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Kihira, K, Funaki, R, Okamoto, W, Endo, C, Morita, Y, Komatsu, T. | Deposit date: | 2019-09-18 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genetically engineered haemoglobin wrapped covalently with human serum albumins as an artificial O2carrier. J Mater Chem B, 8, 2020
|
|
6HYP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hyp by Molmil](/molmil-images/mine/6hyp) | Rea1 Wild type ADP state (AAA+ ring part) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Midasin,Midasin | Authors: | Sosnowski, P, Urnavicius, L, Boland, A, Fagiewicz, R, Busselez, J, Papai, G, Schmidt, H. | Deposit date: | 2018-10-22 | Release date: | 2018-12-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The CryoEM structure of the Saccharomyces cerevisiae ribosome maturation factor Rea1. Elife, 7, 2018
|
|
4FP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fp7 by Molmil](/molmil-images/mine/4fp7) | |
1TU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tu5 by Molmil](/molmil-images/mine/1tu5) | Crystal structure of bovine plasma copper-containing amine oxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lunelli, M, Di Paolo, M.L, Biadene, M, Calderone, V, Scarpa, M, Battistutta, R, Rigo, A, Zanotti, G. | Deposit date: | 2004-06-24 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of amine oxidase from bovine serum. J.Mol.Biol., 346, 2005
|
|
3ZCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zcr by Molmil](/molmil-images/mine/3zcr) | Rabbit muscle glycogen phosphorylase b in complex with N-(4-tert- butyl-benzoyl)-N-beta-D-glucopyranosyl urea determined at 2.07 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
|
|
3ZFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zfg by Molmil](/molmil-images/mine/3zfg) | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, VP1, VP2, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3ZEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zei by Molmil](/molmil-images/mine/3zei) | Structure of the Mycobacterium tuberculosis O-Acetylserine Sulfhydrylase (OASS) CysK1 in complex with a small molecule inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid, O-ACETYLSERINE SULFHYDRYLASE, ... | Authors: | Poyraz, O, Schnell, R, Schneider, G. | Deposit date: | 2012-12-05 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Design of Novel Thiazolidine Inhibitors of O-Acetyl Serine Sulfhydrylase from Mycobacterium Tuberculosis. J.Med.Chem., 56, 2013
|
|
3ZFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zfc by Molmil](/molmil-images/mine/3zfc) | Crystal Structure of the Kif4 Motor Domain Complexed With Mg-AMPPNP | Descriptor: | CHROMOSOME-ASSOCIATED KINESIN KIF4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Chang, Q, Nitta, R, Inoue, S, Hirokawa, N. | Deposit date: | 2012-12-11 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for the ATP-Induced Isomerization of Kinesin. J.Mol.Biol., 425, 2013
|
|
3ZC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zc3 by Molmil](/molmil-images/mine/3zc3) | FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | Deposit date: | 2012-11-15 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency. Biochim.Biophys.Acta, 1837, 2013
|
|
4F93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f93 by Molmil](/molmil-images/mine/4f93) | Brr2 Helicase Region S1087L, Mg-ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Santos, K.F, Jovin, S.M, Weber, G, Pena, V, Luehrmann, R, Wahl, M.C. | Deposit date: | 2012-05-18 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7JU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ju4 by Molmil](/molmil-images/mine/7ju4) | Radial spoke 2 stalk, IDAc, and N-DRC attached with doublet microtubule | Descriptor: | 28 kDa inner dynein arm light chain, axonemal, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | Deposit date: | 2020-08-19 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of radial spokes and associated complexes important for ciliary motility. Nat.Struct.Mol.Biol., 28, 2021
|
|
3ZCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zcq by Molmil](/molmil-images/mine/3zcq) | Rabbit muscle glycogen phosphorylase b in complex with N-(4- trifluoromethyl-benzoyl)-N-beta-D-glucopyranosyl urea determined at 2. 15 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
|
|
7JO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jo3 by Molmil](/molmil-images/mine/7jo3) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | Descriptor: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-05 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
|
|
6I1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i1t by Molmil](/molmil-images/mine/6i1t) | Calcium structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Turbe-Doan, A, Record, E, Lombard, V, Kumar, R, Henrissat, B, Levasseur, A, Garron, M.L. | Deposit date: | 2018-10-30 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The functional and structural characterization ofTrichoderma reeseidehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12. Appl.Environ.Microbiol., 2019
|
|
4N1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n1c by Molmil](/molmil-images/mine/4n1c) | Structural evidence for antigen receptor evolution | Descriptor: | Lysozyme C, immunoglobulin variable light chain domain | Authors: | Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D. | Deposit date: | 2013-10-03 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural reconstruction of protein ancestry. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
3ZFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zfp by Molmil](/molmil-images/mine/3zfp) | Crystal structure of product-like, processed N-terminal protease Npro with internal His-Tag | Descriptor: | CHLORIDE ION, MONOTHIOGLYCEROL, N-TERMINAL PROTEASE NPRO | Authors: | Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B. | Deposit date: | 2012-12-12 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis Structure, 21, 2013
|
|
3ZFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zft by Molmil](/molmil-images/mine/3zft) | Crystal structure of product-like, processed N-terminal protease Npro at pH 3 | Descriptor: | CHLORIDE ION, MONOTHIOGLYCEROL, N-TERMINAL PROTEASE NPRO | Authors: | Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B. | Deposit date: | 2012-12-12 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis Structure, 21, 2013
|
|
6I3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i3o by Molmil](/molmil-images/mine/6i3o) | Crystal structure of DEAH-box ATPase Prp22 | Descriptor: | Putative pre-mRNA splicing factor | Authors: | Hamann, F, Ficner, R. | Deposit date: | 2018-11-07 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural basis for RNA translocation by DEAH-box ATPases. Nucleic Acids Res., 47, 2019
|
|
7JNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jnx by Molmil](/molmil-images/mine/7jnx) | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | Descriptor: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-05 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.286 Å) | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
|
|
6I45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i45 by Molmil](/molmil-images/mine/6i45) | Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION | Authors: | Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y. | Deposit date: | 2018-11-09 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism. Int.J.Biol.Macromol., 217, 2022
|
|
7JO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jo0 by Molmil](/molmil-images/mine/7jo0) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | Descriptor: | Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-05 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.607 Å) | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
|
|