5X3S
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5XDA
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5Y7K
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![BU of 5y7k by Molmil](/molmil-images/mine/5y7k) | Crystal structure of human DPP4 in complex with inhibitor1 | Descriptor: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4 | Authors: | Lee, H.K, Kim, E.E. | Deposit date: | 2017-08-17 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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5Y7J
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![BU of 5y7j by Molmil](/molmil-images/mine/5y7j) | Crystal structure of human DPP4 in complex with inhibitor2 | Descriptor: | (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4 | Authors: | Lee, H.K, Kim, E.E. | Deposit date: | 2017-08-17 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.521 Å) | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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5Y7H
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![BU of 5y7h by Molmil](/molmil-images/mine/5y7h) | Crystal structure of human DPP4 in complex with inhibitor3 | Descriptor: | (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one, Dipeptidyl peptidase 4 | Authors: | Lee, H.K, Kim, E.E. | Deposit date: | 2017-08-17 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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4FDK
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![BU of 4fdk by Molmil](/molmil-images/mine/4fdk) | F78L Tt H-NOX | Descriptor: | Methyl-accepting chemotaxis protein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Weinert, E.E, Phillips-Piro, C.M, Marletta, M.A. | Deposit date: | 2012-05-28 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Porphyrin pi-stacking in a heme protein scaffold tunes gas ligand affinity. J.Inorg.Biochem., 127C, 2013
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4EJJ
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![BU of 4ejj by Molmil](/molmil-images/mine/4ejj) | Human Cytochrome P450 2A6 in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2012-04-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes. J.Biol.Chem., 287, 2012
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5WTE
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![BU of 5wte by Molmil](/molmil-images/mine/5wte) | Cryo-EM structure for Hepatitis A virus full particle | Descriptor: | VP1, VP2, VP3 | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | Deposit date: | 2016-12-11 | Release date: | 2017-01-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4GWM
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![BU of 4gwm by Molmil](/molmil-images/mine/4gwm) | Crystal structure of human promeprin beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane Proc.Natl.Acad.Sci.USA, 109, 2012
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4EJG
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![BU of 4ejg by Molmil](/molmil-images/mine/4ejg) | Human Cytochrome P450 2A13 in complex with Nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A13, GLYCEROL, ... | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2012-04-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes. J.Biol.Chem., 287, 2012
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4GWN
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![BU of 4gwn by Molmil](/molmil-images/mine/4gwn) | Crystal structure of human mature meprin beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane Proc.Natl.Acad.Sci.USA, 109, 2012
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6I2K
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![BU of 6i2k by Molmil](/molmil-images/mine/6i2k) | Structure of EV71 complexed with its receptor SCARB2 | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I. | Deposit date: | 2018-11-01 | Release date: | 2018-11-28 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2. Nat Microbiol, 4, 2019
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6GO1
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![BU of 6go1 by Molmil](/molmil-images/mine/6go1) | Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2018-06-01 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination. Acta Crystallogr.,Sect.F, 75, 2019
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1STY
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365D
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![BU of 365d by Molmil](/molmil-images/mine/365d) | STRUCTURAL BASIS FOR G C RECOGNITION IN THE DNA MINOR GROOVE | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*(CBR)P*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1997-12-17 | Release date: | 1998-02-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for G.C recognition in the DNA minor groove. Nat.Struct.Biol., 5, 1998
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7D24
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![BU of 7d24 by Molmil](/molmil-images/mine/7d24) | Hsp90 alpha N-terminal domain in complex with a 4B compund | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D26
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![BU of 7d26 by Molmil](/molmil-images/mine/7d26) | Hsp90 alpha N-terminal domain in complex with a 8 compund | Descriptor: | 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D1V
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![BU of 7d1v by Molmil](/molmil-images/mine/7d1v) | Hsp90 alpha N-terminal domain in complex with a 6C compund | Descriptor: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D22
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![BU of 7d22 by Molmil](/molmil-images/mine/7d22) | Hsp90 alpha N-terminal domain in complex with a 6B compund | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D25
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![BU of 7d25 by Molmil](/molmil-images/mine/7d25) | Hsp90 alpha N-terminal domain in complex with a 14 compund | Descriptor: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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3DC5
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![BU of 3dc5 by Molmil](/molmil-images/mine/3dc5) | Crystal Structure of a manganese superoxide dismutases from Caenorhabditis elegans | Descriptor: | MALONATE ION, MANGANESE (II) ION, Superoxide dismutase [Mn] 2 | Authors: | Trinh, C.H, Hunter, T, Stewart, E.E, Phillips, S.E.V, Hunter, G.J. | Deposit date: | 2008-06-03 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Purification, crystallization and X-ray structures of the two manganese superoxide dismutases from Caenorhabditis elegans Acta Crystallogr.,Sect.F, 64, 2008
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4CEY
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![BU of 4cey by Molmil](/molmil-images/mine/4cey) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-12 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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3AID
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4IL3
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![BU of 4il3 by Molmil](/molmil-images/mine/4il3) | Crystal Structure of S. mikatae Ste24p | Descriptor: | Ste24p, ZINC ION | Authors: | Pryor Jr, E.E, Horanyi, P.S, Clark, K, Fedoriw, N, Connelly, S.M, Koszelak-Rosenblum, M, Zhu, G, Malkowski, M.G, Dumont, M.E, Wiener, M.C, Membrane Protein Structural Biology Consortium (MPSBC) | Deposit date: | 2012-12-28 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Structure of the integral membrane protein CAAX protease Ste24p. Science, 339, 2013
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4CDW
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![BU of 4cdw by Molmil](/molmil-images/mine/4cdw) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4 | Descriptor: | 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ... | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-06 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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