1YQ1
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1YO6
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6R8Q
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![BU of 6r8q by Molmil](/molmil-images/mine/6r8q) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8R
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![BU of 6r8r by Molmil](/molmil-images/mine/6r8r) | Structure of the Wnt deacylase Notum in complex with isoquinoline 45 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6RQ5
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![BU of 6rq5 by Molmil](/molmil-images/mine/6rq5) | CYP121 in complex with 3,5-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQ3
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![BU of 6rq3 by Molmil](/molmil-images/mine/6rq3) | CYP121 in complex with 2,6-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQE
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![BU of 6rqe by Molmil](/molmil-images/mine/6rqe) | CYP121 in complex with 3-acetylene dicyclotyrosine | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQ8
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![BU of 6rq8 by Molmil](/molmil-images/mine/6rq8) | CYP121 in complex with 3-iodo dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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3FXY
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![BU of 3fxy by Molmil](/molmil-images/mine/3fxy) | Acidic Mammalian Chinase, Catalytic Domain | Descriptor: | Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
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3FY1
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![BU of 3fy1 by Molmil](/molmil-images/mine/3fy1) | The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin | Descriptor: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
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3MKA
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3MI0
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![BU of 3mi0 by Molmil](/molmil-images/mine/3mi0) | Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ... | Authors: | Li, D, Li, H. | Deposit date: | 2010-04-09 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome. Embo J., 2010
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3PDF
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![BU of 3pdf by Molmil](/molmil-images/mine/3pdf) | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, B, Laine, D. | Deposit date: | 2010-10-22 | Release date: | 2011-10-26 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C. Acs Med.Chem.Lett., 2, 2011
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6AVO
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![BU of 6avo by Molmil](/molmil-images/mine/6avo) | Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes | Descriptor: | N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Li, H, Santos, R, Bai, L. | Deposit date: | 2017-09-04 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes. Nat Commun, 8, 2017
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6WHC
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![BU of 6whc by Molmil](/molmil-images/mine/6whc) | CryoEM Structure of the glucagon receptor with a dual-agonist peptide | Descriptor: | Dual-agonist peptide, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Sexton, P, Danev, R. | Deposit date: | 2020-04-07 | Release date: | 2020-05-27 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide. J.Biol.Chem., 295, 2020
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1ROW
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![BU of 1row by Molmil](/molmil-images/mine/1row) | Structure of SSP-19, an MSP-domain protein like family member in Caenorhabditis elegans | Descriptor: | MSP-domain protein like family member | Authors: | Schormann, N, Symersky, J, Carson, M, Luo, M, Lin, G, Li, S, Qiu, S, Arabashi, A, Bunzel, B, Luo, D, Nagy, L, Gray, R, Luan, C.-H, Zhang, J, Lu, S, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2003-12-02 | Release date: | 2003-12-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of sperm-specific protein SSP-19 from Caenorhabditis elegans. Acta Crystallogr.,Sect.D, 60, 2004
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6WNK
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![BU of 6wnk by Molmil](/molmil-images/mine/6wnk) | Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome | Descriptor: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ... | Authors: | Hsu, H.C, Li, H. | Deposit date: | 2020-04-22 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J.Med.Chem., 64, 2021
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7SGJ
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7SGI
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7SGG
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7SGK
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2ALR
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![BU of 2alr by Molmil](/molmil-images/mine/2alr) | ALDEHYDE REDUCTASE | Descriptor: | ALDEHYDE REDUCTASE | Authors: | El-Kabbani, O. | Deposit date: | 1994-09-06 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structures of human and porcine aldehyde reductase: an enzyme implicated in diabetic complications. Acta Crystallogr.,Sect.D, 50, 1994
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2FHH
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3FP9
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7WV9
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![BU of 7wv9 by Molmil](/molmil-images/mine/7wv9) | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | Authors: | Xu, Z, Shao, Z. | Deposit date: | 2022-02-10 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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