4ZPG
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4ZR2
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8VZR
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![BU of 8vzr by Molmil](/molmil-images/mine/8vzr) | Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol | Descriptor: | 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ... | Authors: | Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S. | Deposit date: | 2024-02-12 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B. Biochemistry, 63, 2024
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3MHD
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![BU of 3mhd by Molmil](/molmil-images/mine/3mhd) | Crystal structure of DCR3 | Descriptor: | Tumor necrosis factor receptor superfamily member 6B | Authors: | Zhan, C, Patskovsky, Y, Yan, Q, Li, Z, Ramagopal, U.A, Nathenson, S.G, Almo, S.C. | Deposit date: | 2010-04-07 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Decoy Strategies: The Structure of TL1A:DcR3 Complex. Structure, 19, 2011
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4ZNF
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6RNB
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![BU of 6rnb by Molmil](/molmil-images/mine/6rnb) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNC
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![BU of 6rnc by Molmil](/molmil-images/mine/6rnc) | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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4ZWB
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![BU of 4zwb by Molmil](/molmil-images/mine/4zwb) | Crystal structure of maltose-bound human GLUT3 in the outward-occluded conformation at 2.4 angstrom | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | Deposit date: | 2015-05-19 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
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6RO3
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![BU of 6ro3 by Molmil](/molmil-images/mine/6ro3) | 2Yr-X: Lysozyme with Re Cluster 2 year on shelf | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | Authors: | Brink, A, Helliwell, J.R. | Deposit date: | 2019-05-10 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging. Iucrj, 6, 2019
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8VYL
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3MGY
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![BU of 3mgy by Molmil](/molmil-images/mine/3mgy) | Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
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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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3LZV
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![BU of 3lzv by Molmil](/molmil-images/mine/3lzv) | Structure of Nelfinavir-resistant HIV-1 protease (D30N/N88D) in complex with Darunavir. | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 Protease, ... | Authors: | Schiffer, C.A, Kolli, M. | Deposit date: | 2010-03-01 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
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5A4E
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![BU of 5a4e by Molmil](/molmil-images/mine/5a4e) | DYRK1A in complex with methoxy benzothiazole fragment | Descriptor: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide | Authors: | Rothweiler, U. | Deposit date: | 2015-06-08 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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3M0T
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4ZRW
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![BU of 4zrw by Molmil](/molmil-images/mine/4zrw) | Structure of cow mincle complexed with trehalose | Descriptor: | CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
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4ZT1
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![BU of 4zt1 by Molmil](/molmil-images/mine/4zt1) | Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation | Descriptor: | CALCIUM ION, Cadherin-1 | Authors: | Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E. | Deposit date: | 2015-05-14 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction. J.Med.Chem., 59, 2016
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6RYI
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![BU of 6ryi by Molmil](/molmil-images/mine/6ryi) | WUS-HD bound to G-Box DNA | Descriptor: | DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'), Protein WUSCHEL | Authors: | Sloan, J.J, Wild, K, Sinning, I. | Deposit date: | 2019-06-10 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL. Nat Commun, 11, 2020
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6RYT
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3MDT
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![BU of 3mdt by Molmil](/molmil-images/mine/3mdt) | Voriconazole complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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4YLL
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![BU of 4yll by Molmil](/molmil-images/mine/4yll) | Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | Descriptor: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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6S0L
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![BU of 6s0l by Molmil](/molmil-images/mine/6s0l) | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | Deposit date: | 2019-06-17 | Release date: | 2020-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers. Iucrj, 7, 2020
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4YM9
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![BU of 4ym9 by Molmil](/molmil-images/mine/4ym9) | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102 | Descriptor: | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ... | Authors: | Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M. | Deposit date: | 2015-03-06 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes. ChemMedChem, 11, 2016
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3MFT
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![BU of 3mft by Molmil](/molmil-images/mine/3mft) | CASK-4M CaM Kinase Domain, Mn2+ | Descriptor: | Peripheral plasma membrane protein CASK | Authors: | Wahl, M.C, Mukherjee, K. | Deposit date: | 2010-04-03 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of CASK into a Mg2+-sensitive kinase. Sci.Signal., 3, 2010
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6RFE
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![BU of 6rfe by Molmil](/molmil-images/mine/6rfe) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-13 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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