4IJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ijn by Molmil](/molmil-images/mine/4ijn) | |
7C7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7u by Molmil](/molmil-images/mine/7c7u) | Biofilm associated protein - BSP domain | Descriptor: | Biofilm-associated surface protein, CALCIUM ION | Authors: | Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y. | Deposit date: | 2020-05-26 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch. Embo J., 40, 2021
|
|
7C7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c7r by Molmil](/molmil-images/mine/7c7r) | Biofilm associated protein - B domain | Descriptor: | Biofilm-associated surface protein, CALCIUM ION | Authors: | Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y. | Deposit date: | 2020-05-26 | Release date: | 2021-05-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch. Embo J., 40, 2021
|
|
3NR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nr2 by Molmil](/molmil-images/mine/3nr2) | Crystal structure of Caspase-6 zymogen | Descriptor: | Caspase-6 | Authors: | Su, X.-D, Wang, X.-J, Liu, X, Mi, W, Wang, K.-T. | Deposit date: | 2010-06-30 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation Embo Rep., 11, 2010
|
|
7M4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m4s by Molmil](/molmil-images/mine/7m4s) | |
6C6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c6y by Molmil](/molmil-images/mine/6c6y) | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2018-01-19 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape. J. Virol., 92, 2018
|
|
6DI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6di4 by Molmil](/molmil-images/mine/6di4) | |
6DJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dj7 by Molmil](/molmil-images/mine/6dj7) | HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand) | Descriptor: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | Deposit date: | 2018-05-24 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
|
|
6D78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d78 by Molmil](/molmil-images/mine/6d78) | The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide | Descriptor: | Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ... | Authors: | Hellman, L.M, Singh, N.K. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
|
|
6DIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dif by Molmil](/molmil-images/mine/6dif) | Wild-type HIV-1 protease in complex with tipranavir | Descriptor: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2018-05-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
|
|
6DIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dil by Molmil](/molmil-images/mine/6dil) | HIV-1 protease with single mutation L76V in complex with tipranavir | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2018-05-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
|
|
6DKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dkp by Molmil](/molmil-images/mine/6dkp) | The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | Descriptor: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | Authors: | Hellman, L.M, Singh, N.K. | Deposit date: | 2018-05-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.966 Å) | Cite: | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
|
|
6AS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6as7 by Molmil](/molmil-images/mine/6as7) | CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF HUMAN DNA POLYMERASE ALPHA IN TERNARY COMPLEX WITH AN DNA-PRIMED DNA TEMPLATE AND DCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, COBALT (II) ION, DNA (5'-D(*AP*GP*GP*CP*GP*CP*TP*CP*CP*AP*GP*GP*C)-3'), ... | Authors: | Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D. | Deposit date: | 2017-08-23 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Activity and fidelity of human DNA polymerase alpha depend on primer structure. J. Biol. Chem., 293, 2018
|
|
7MLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mlb by Molmil](/molmil-images/mine/7mlb) | |
7MLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mli by Molmil](/molmil-images/mine/7mli) | |
7MLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mlj by Molmil](/molmil-images/mine/7mlj) | |
3SX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sx2 by Molmil](/molmil-images/mine/3sx2) | |
3NE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ne7 by Molmil](/molmil-images/mine/3ne7) | Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a | Descriptor: | ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ... | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-06-08 | Release date: | 2010-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production. Proteins, 79, 2011
|
|
4FFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ffw by Molmil](/molmil-images/mine/4ffw) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
6DJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dj5 by Molmil](/molmil-images/mine/6dj5) | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | Deposit date: | 2018-05-24 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
|
|
5E2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e2i by Molmil](/molmil-images/mine/5e2i) | Acetylcholinesterase Methylene Blue no PEG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ... | Authors: | Dym, O. | Deposit date: | 2015-10-01 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex. Protein Sci., 25, 2016
|
|
4KAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kam by Molmil](/molmil-images/mine/4kam) | |
4FFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ffv by Molmil](/molmil-images/mine/4ffv) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
6IYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iyf by Molmil](/molmil-images/mine/6iyf) | Structure of pSTING complex | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | Deposit date: | 2018-12-15 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins. J.Biol.Chem., 294, 2019
|
|
3OHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ohh by Molmil](/molmil-images/mine/3ohh) | Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889 aka n~1~-butyl-5-cyano- n~3~-((1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~-methyl-1h-indole-1,3- dicarboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2010-08-17 | Release date: | 2011-04-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
|
|