4GR8
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![BU of 4gr8 by Molmil](/molmil-images/mine/4gr8) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | Descriptor: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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4GR0
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![BU of 4gr0 by Molmil](/molmil-images/mine/4gr0) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ... | Authors: | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | Deposit date: | 2012-08-24 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
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1GYZ
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![BU of 1gyz by Molmil](/molmil-images/mine/1gyz) | |
5MWF
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![BU of 5mwf by Molmil](/molmil-images/mine/5mwf) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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3RKR
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![BU of 3rkr by Molmil](/molmil-images/mine/3rkr) | Crystal structure of a metagenomic short-chain oxidoreductase (SDR) in complex with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, Short chain oxidoreductase | Authors: | Mayerhofer, H, Bijtenhoorn, P, Streit, W.R, Mueller-Dieckmann, J. | Deposit date: | 2011-04-18 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A novel metagenomic short-chain dehydrogenase/reductase attenuates Pseudomonas aeruginosa biofilm formation and virulence on Caenorhabditis elegans. Plos One, 6, 2011
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7BJ9
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![BU of 7bj9 by Molmil](/molmil-images/mine/7bj9) | Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2021-01-14 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21000588 Å) | Cite: | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode. Acs Infect Dis., 7, 2021
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7BJ8
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![BU of 7bj8 by Molmil](/molmil-images/mine/7bj8) | Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2021-01-14 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode. Acs Infect Dis., 7, 2021
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5MVX
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![BU of 5mvx by Molmil](/molmil-images/mine/5mvx) | Human DLL4 C2-EGF3 | Descriptor: | Delta-like protein 4, alpha-L-fucopyranose | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-17 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MW7
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![BU of 5mw7 by Molmil](/molmil-images/mine/5mw7) | Human Jagged2 C2-EGF3 | Descriptor: | Protein jagged-2, alpha-L-fucopyranose | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MWB
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![BU of 5mwb by Molmil](/molmil-images/mine/5mwb) | Human Notch-2 EGF11-13 | Descriptor: | CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ... | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MW5
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![BU of 5mw5 by Molmil](/molmil-images/mine/5mw5) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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3EL9
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![BU of 3el9 by Molmil](/molmil-images/mine/3el9) | Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V) | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | Deposit date: | 2008-09-21 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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5GXG
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![BU of 5gxg by Molmil](/molmil-images/mine/5gxg) | High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M. | Deposit date: | 2016-09-17 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of productive and futile encounters in an electron transfer protein complex Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3SOB
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![BU of 3sob by Molmil](/molmil-images/mine/3sob) | The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ... | Authors: | Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G. | Deposit date: | 2011-06-30 | Release date: | 2011-09-21 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6. Structure, 19, 2011
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3LKA
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![BU of 3lka by Molmil](/molmil-images/mine/3lka) | |
3SOQ
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![BU of 3soq by Molmil](/molmil-images/mine/3soq) | The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ... | Authors: | Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G. | Deposit date: | 2011-06-30 | Release date: | 2011-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6. Structure, 19, 2011
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3EL5
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![BU of 3el5 by Molmil](/molmil-images/mine/3el5) | |
3SOV
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![BU of 3sov by Molmil](/molmil-images/mine/3sov) | The structure of a beta propeller domain in complex with peptide S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ... | Authors: | Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G. | Deposit date: | 2011-06-30 | Release date: | 2011-09-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6. Structure, 19, 2011
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3EL4
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![BU of 3el4 by Molmil](/molmil-images/mine/3el4) | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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6RD0
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![BU of 6rd0 by Molmil](/molmil-images/mine/6rd0) | Human MMP12 catalytic domain in complex with AP280 | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C. | Deposit date: | 2019-04-12 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg.Med.Chem., 27, 2019
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1W6K
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![BU of 1w6k by Molmil](/molmil-images/mine/1w6k) | Structure of human OSC in complex with Lanosterol | Descriptor: | LANOSTEROL, LANOSTEROL SYNTHASE, octyl beta-D-glucopyranoside | Authors: | Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A. | Deposit date: | 2004-08-19 | Release date: | 2004-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase Nature, 432, 2004
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1W6J
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![BU of 1w6j by Molmil](/molmil-images/mine/1w6j) | Structure of human OSC in complex with Ro 48-8071 | Descriptor: | LANOSTEROL SYNTHASE, TETRADECANE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE, ... | Authors: | Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A. | Deposit date: | 2004-08-18 | Release date: | 2004-10-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase Nature, 432, 2004
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6RLY
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![BU of 6rly by Molmil](/molmil-images/mine/6rly) | Human MMP12 (catalytic domain) in complex with AP316 | Descriptor: | 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C. | Deposit date: | 2019-05-03 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases. Bioorg.Med.Chem., 27, 2019
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2BF2
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![BU of 2bf2 by Molmil](/molmil-images/mine/2bf2) | Crystal structure of native toluene-4-monooxygenase catalytic effector protein, T4moD | Descriptor: | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D | Authors: | Lountos, G.T, Mitchell, K.H, Studts, J.M, Fox, B.G, Orville, A.M. | Deposit date: | 2004-12-03 | Release date: | 2005-05-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures and Functional Studies of T4Mod, the Toluene 4-Monooxygenase Catalytic Effector Protein Biochemistry, 44, 2005
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2BF5
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![BU of 2bf5 by Molmil](/molmil-images/mine/2bf5) | Crystal structure of a toluene 4-monooxygenase catalytic effector protein variant missing four N-terminal residues (delta-N4 T4moD) | Descriptor: | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D | Authors: | Lountos, G.T, Mitchell, K.H, Studts, J.M, Fox, B.G, Orville, A.M. | Deposit date: | 2004-12-03 | Release date: | 2005-05-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structures and Functional Studies of T4Mod, the Toluene 4-Monooxygenase Catalytic Effector Protein Biochemistry, 44, 2005
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