4APN
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![BU of 4apn by Molmil](/molmil-images/mine/4apn) | Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor | Descriptor: | 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Biava, M. | Deposit date: | 2012-04-04 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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7PP0
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![BU of 7pp0 by Molmil](/molmil-images/mine/7pp0) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors. Chemmedchem, 17, 2022
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3RTW
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![BU of 3rtw by Molmil](/molmil-images/mine/3rtw) | |
6X8R
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![BU of 6x8r by Molmil](/molmil-images/mine/6x8r) | |
3T3I
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![BU of 3t3i by Molmil](/molmil-images/mine/3t3i) | Glycogen Phosphorylase b in complex with GlcCF3U | Descriptor: | 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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3T3G
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![BU of 3t3g by Molmil](/molmil-images/mine/3t3g) | Glycogen Phosphorylase b in complex with GlcBrU | Descriptor: | 5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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3T3E
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![BU of 3t3e by Molmil](/molmil-images/mine/3t3e) | Glycogen phosphorylase b in complex with GlcClU | Descriptor: | 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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6FDK
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![BU of 6fdk by Molmil](/molmil-images/mine/6fdk) | |
3T3H
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![BU of 3t3h by Molmil](/molmil-images/mine/3t3h) | Glycogen Phosphorylase b in complex with GlcIU | Descriptor: | 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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3T3D
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![BU of 3t3d by Molmil](/molmil-images/mine/3t3d) | Glycogen phosphorylase b in complex with GlcU | Descriptor: | 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2011-07-25 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
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3UTU
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![BU of 3utu by Molmil](/molmil-images/mine/3utu) | High affinity inhibitor of human thrombin | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | Deposit date: | 2011-11-26 | Release date: | 2012-08-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling Chemmedchem, 7, 2012
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6FSO
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![BU of 6fso by Molmil](/molmil-images/mine/6fso) | Crystal Structure of TGT in complex with methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2018-02-20 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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4ZQK
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![BU of 4zqk by Molmil](/molmil-images/mine/4zqk) | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | Deposit date: | 2015-05-10 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. Structure, 23, 2015
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6WS5
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![BU of 6ws5 by Molmil](/molmil-images/mine/6ws5) | Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT | Descriptor: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | Authors: | McPherson, K.S, Korzhnev, D.M. | Deposit date: | 2020-04-30 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. Chemmedchem, 16, 2021
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3RTF
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8EGX
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![BU of 8egx by Molmil](/molmil-images/mine/8egx) | Complex of Fat4(EC1-4) bound to Dchs1(EC1-4) | 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: | Medina, E, Luca, V.C. | Deposit date: | 2022-09-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.688 Å) | Cite: | Structure of the planar cell polarity cadherins Fat4 and Dachsous1. Nat Commun, 14, 2023
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8EGW
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![BU of 8egw by Molmil](/molmil-images/mine/8egw) | Complex of Fat4(EC1-4) bound to Dchs1(EC1-3) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Medina, E, Luca, V.C. | Deposit date: | 2022-09-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the planar cell polarity cadherins Fat4 and Dachsous1. Nat Commun, 14, 2023
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3RT6
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3RT8
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![BU of 3rt8 by Molmil](/molmil-images/mine/3rt8) | |
5JAB
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![BU of 5jab by Molmil](/molmil-images/mine/5jab) | |
1AZW
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![BU of 1azw by Molmil](/molmil-images/mine/1azw) | PROLINE IMINOPEPTIDASE FROM XANTHOMONAS CAMPESTRIS PV. CITRI | Descriptor: | PROLINE IMINOPEPTIDASE | Authors: | Medrano, F.J, Alonso, J, Garcia, J.L, Romero, A, Bode, W, Gomis-Ruth, F.X. | Deposit date: | 1997-11-22 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of proline iminopeptidase from Xanthomonas campestris pv. citri: a prototype for the prolyl oligopeptidase family. EMBO J., 17, 1998
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4XAT
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![BU of 4xat by Molmil](/molmil-images/mine/4xat) | Crystal structure of the olfactomedin domain from noelin/pancortin/olfactomedin-1 | Descriptor: | CALCIUM ION, GLYCEROL, Noelin, ... | Authors: | Hill, S.E, Nguyen, E, Lieberman, R.L. | Deposit date: | 2014-12-15 | Release date: | 2015-07-15 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies. Plos One, 10, 2015
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2ZXZ
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![BU of 2zxz by Molmil](/molmil-images/mine/2zxz) | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | Deposit date: | 2009-01-09 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology Chemmedchem, 4, 2009
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2ZY0
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![BU of 2zy0 by Molmil](/molmil-images/mine/2zy0) | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | Descriptor: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES) | Deposit date: | 2009-01-09 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology Chemmedchem, 4, 2009
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8DFK
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![BU of 8dfk by Molmil](/molmil-images/mine/8dfk) | |