2OM2
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7V92
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7V91
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![BU of 7v91 by Molmil](/molmil-images/mine/7v91) | Crystal Structure of the Catalytic Domain of a Family GH19 Chitinase from Gazyumaru, Ficus microcarpa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Kozome, D, Kubota, T, Ishikawa, K. | Deposit date: | 2021-08-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis and Construction of a Thermostable Antifungal Chitinase. Appl.Environ.Microbiol., 88, 2022
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2OYE
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![BU of 2oye by Molmil](/molmil-images/mine/2oye) | Indomethacin-(R)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Harman, C.A, Garavito, R.M. | Deposit date: | 2007-02-21 | Release date: | 2007-07-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides. J.Biol.Chem., 282, 2007
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6D40
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6D3Y
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6D1K
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2P8S
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![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
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7LAG
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![BU of 7lag by Molmil](/molmil-images/mine/7lag) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg.Med.Chem.Lett., 42, 2021
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2NB7
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7NIN
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![BU of 7nin by Molmil](/molmil-images/mine/7nin) | X-ray crystal structure of LsAA9A - CinnamtanninB1 soak | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ... | Authors: | Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-02-12 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition of lytic polysaccharide monooxygenase by natural plant extracts. New Phytol., 232, 2021
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7NIM
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![BU of 7nim by Molmil](/molmil-images/mine/7nim) | X-ray crystal structure of LsAA9A - cinnamon extract soak | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ... | Authors: | Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-02-12 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Inhibition of lytic polysaccharide monooxygenase by natural plant extracts. New Phytol., 232, 2021
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7N9Z
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![BU of 7n9z by Molmil](/molmil-images/mine/7n9z) | E. coli cytochrome bo3 in MSP nanodisc | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Vallese, F, Clarke, O.B. | Deposit date: | 2021-06-19 | Release date: | 2021-09-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Cryo-EM structures of Escherichia coli cytochrome bo 3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site. Proc.Natl.Acad.Sci.USA, 118, 2021
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2NPQ
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6F5R
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![BU of 6f5r by Molmil](/molmil-images/mine/6f5r) | Crystal Structure of KDM4D with GF028 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.607 Å) | Cite: | Crystal Structure of KDM4D with GF028 ligand To be published
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7NA6
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![BU of 7na6 by Molmil](/molmil-images/mine/7na6) | Cryo-EM structure of AAV True Type | Descriptor: | Capsid protein VP1 | Authors: | Bennett, A.D, McKenna, R. | Deposit date: | 2021-06-19 | Release date: | 2021-09-29 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Comparative structural, biophysical, and receptor binding study of true type and wild type AAV2. J.Struct.Biol., 213, 2021
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6F5S
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![BU of 6f5s by Molmil](/molmil-images/mine/6f5s) | Crystal Structure of KDM4D with tetrazole ligand GF049 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of KDM4D with tetrazole ligand GF049 To be published
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2P6B
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![BU of 2p6b by Molmil](/molmil-images/mine/2p6b) | Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide | Descriptor: | CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ... | Authors: | Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G. | Deposit date: | 2007-03-16 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction J.Mol.Biol., 369, 2007
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2ORS
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![BU of 2ors by Molmil](/molmil-images/mine/2ors) | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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7NSE
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![BU of 7nse by Molmil](/molmil-images/mine/7nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
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6ESM
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![BU of 6esm by Molmil](/molmil-images/mine/6esm) | Crystal structure of MMP9 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6F5D
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![BU of 6f5d by Molmil](/molmil-images/mine/6f5d) | Trypanosoma brucei F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ... | Authors: | Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E. | Deposit date: | 2017-12-01 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F5Q
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![BU of 6f5q by Molmil](/molmil-images/mine/6f5q) | Crystal Structure of KDM4D with GF026 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal Structure of KDM4D with GF026 ligand To be published
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2PCD
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![BU of 2pcd by Molmil](/molmil-images/mine/2pcd) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN) | Authors: | Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D. | Deposit date: | 1994-06-21 | Release date: | 1994-12-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution. J.Mol.Biol., 244, 1994
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2OX0
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![BU of 2ox0 by Molmil](/molmil-images/mine/2ox0) | Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9 | Descriptor: | CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ... | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-19 | Release date: | 2007-03-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity. Nature, 448, 2007
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