8EO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eo0 by Molmil](/molmil-images/mine/8eo0) | |
8ENS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ens by Molmil](/molmil-images/mine/8ens) | |
8ENW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8enw by Molmil](/molmil-images/mine/8enw) | |
4Q0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q0m by Molmil](/molmil-images/mine/4q0m) | Crystal structure of Pyrococcus furiosus L-asparaginase | Descriptor: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, GLYCEROL, L-asparaginase, ... | Authors: | Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B. | Deposit date: | 2014-04-02 | Release date: | 2014-12-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4RA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ra9 by Molmil](/molmil-images/mine/4ra9) | Crystal Structure of Conjoint Pyrococcus Furiosus L-asparaginase with Citrate | Descriptor: | CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B. | Deposit date: | 2014-09-09 | Release date: | 2014-12-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains. Acta Crystallogr.,Sect.D, 70, 2014
|
|
8SK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sk5 by Molmil](/molmil-images/mine/8sk5) | Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
|
|
8SZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8szx by Molmil](/molmil-images/mine/8szx) | |
1IVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ivg by Molmil](/molmil-images/mine/1ivg) | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, INFLUENZA A SUBTYPE N2 NEURAMINIDASE, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1994-12-12 | Release date: | 1995-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase. Biochemistry, 34, 1995
|
|
4FPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fpw by Molmil](/molmil-images/mine/4fpw) | Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural Genomics Consortium Target MiR12. | Descriptor: | CalU16 | Authors: | Seetharaman, J, Lew, S, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Phillips Jr, G.N, Kennedy, M.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-22 | Release date: | 2012-12-12 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19. Acs Chem.Biol., 9, 2014
|
|
2QDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qdj by Molmil](/molmil-images/mine/2qdj) | Crystal structure of the Retinoblastoma protein N-domain provides insight into tumor suppression, ligand interaction and holoprotein architecture | Descriptor: | Retinoblastoma-associated protein | Authors: | Hassler, M, Mittnacht, S, Pearl, L.H. | Deposit date: | 2007-06-21 | Release date: | 2008-01-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the retinoblastoma protein N domain provides insight into tumor suppression, ligand interaction, and holoprotein architecture. Mol.Cell, 28, 2007
|
|
2P8S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p8s by Molmil](/molmil-images/mine/2p8s) | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T. | Deposit date: | 2007-03-23 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin Bioorg.Med.Chem.Lett., 17, 2007
|
|
1XMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xmt by Molmil](/molmil-images/mine/1xmt) | X-ray structure of gene product from arabidopsis thaliana at1g77540 | Descriptor: | BROMIDE ION, putative acetyltransferase | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-10-04 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
|
|
5Z5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5w by Molmil](/molmil-images/mine/5z5w) | VFR12 in complex with LPS micelles | Descriptor: | Peptide from Prothrombin | Authors: | Saravanan, R, Schmidtchen, A. | Deposit date: | 2018-01-21 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides. Nat Commun, 9, 2018
|
|
5Z5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5x by Molmil](/molmil-images/mine/5z5x) | HVF18 in complex with LPS micelles | Descriptor: | Peptide from Prothrombin | Authors: | Saravanan, R, Schmidtchen, A. | Deposit date: | 2018-01-21 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides. Nat Commun, 9, 2018
|
|
1IVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ivf by Molmil](/molmil-images/mine/1ivf) | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1994-12-12 | Release date: | 1995-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase. Biochemistry, 34, 1995
|
|
1OVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ove by Molmil](/molmil-images/mine/1ove) | The structure of p38 alpha in complex with a dihydroquinolinone | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14 | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-26 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
|
|
6LFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lfh by Molmil](/molmil-images/mine/6lfh) | |
2O9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o9z by Molmil](/molmil-images/mine/2o9z) | Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the Apo form | Descriptor: | PHOSPHATE ION, Tryptophan halogenase | Authors: | Bitto, E, Bingman, C.A, Phillips Jr, G.N. | Deposit date: | 2006-12-14 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | The structure of flavin-dependent tryptophan 7-halogenase RebH. Proteins, 70, 2008
|
|
2NAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nat by Molmil](/molmil-images/mine/2nat) | |
2NAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nau by Molmil](/molmil-images/mine/2nau) | |
7GDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gdp by Molmil](/molmil-images/mine/7gdp) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-8502cac5-2 (Mpro-x11186) | Descriptor: | (3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gb1 by Molmil](/molmil-images/mine/7gb1) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with STE-KUL-2e0d2e88-2 (Mpro-x10150) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.289 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ge3 by Molmil](/molmil-images/mine/7ge3) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714a760b-3 (Mpro-x11317) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gbg by Molmil](/molmil-images/mine/7gbg) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-1 (Mpro-x10329) | Descriptor: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.461 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ge7 by Molmil](/molmil-images/mine/7ge7) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ADA-UCB-6c2cb422-3 (Mpro-x11354) | Descriptor: | 2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|