3NNU
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![BU of 3nnu by Molmil](/molmil-images/mine/3nnu) | Crystal structure of P38 alpha in complex with DP1376 | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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1XB3
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![BU of 1xb3 by Molmil](/molmil-images/mine/1xb3) | The D62C/K74C double mutant of Pseudomonas Aeruginosa Azurin | Descriptor: | Azurin, COPPER (II) ION | Authors: | Tigerstrom, A, Schwarz, F, Karlsson, G, Okvist, M, Alvarez-Rua, C, Maeder, D, Robb, F.T, Sjolin, L. | Deposit date: | 2004-08-27 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Effects of a novel disulfide bond and engineered electrostatic interactions on the thermostability of azurin Biochemistry, 43, 2004
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3NNW
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![BU of 3nnw by Molmil](/molmil-images/mine/3nnw) | Crystal structure of P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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4QDL
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![BU of 4qdl by Molmil](/molmil-images/mine/4qdl) | Crystal structure of E.coli Cas1-Cas2 complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 | Authors: | Tamulaitiene, G, Sinkunas, T, Silanskas, A, Gasiunas, G, Grazulis, S, Siksnys, V. | Deposit date: | 2014-05-14 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of E.coli Cas1-Cas2 complex To be Published
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1W5Y
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![BU of 1w5y by Molmil](/molmil-images/mine/1w5y) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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4PC3
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![BU of 4pc3 by Molmil](/molmil-images/mine/4pc3) | Elongation factor Tu:Ts complex with partially bound GDP | Descriptor: | Elongation factor Ts, Elongation factor Tu 1, GLYCEROL, ... | Authors: | Thirup, S.S. | Deposit date: | 2014-04-14 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8313 Å) | Cite: | Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu. J.Struct.Biol., 191, 2015
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4PC7
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![BU of 4pc7 by Molmil](/molmil-images/mine/4pc7) | Elongation factor Tu:Ts complex in a near GTP conformation. | Descriptor: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE, Elongation factor Ts, Elongation factor Tu 1, ... | Authors: | Thirup, S.S. | Deposit date: | 2014-04-14 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.6003 Å) | Cite: | Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu. J.Struct.Biol., 191, 2015
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5T9J
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![BU of 5t9j by Molmil](/molmil-images/mine/5t9j) | Crystal Structure of human GEN1 in complex with Holliday junction DNA in the upper interface | Descriptor: | DNA (5'-D(*DAP*DCP*DGP*DAP*DTP*DGP*DGP*DAP*DGP*DCP*DCP*DGP*DCP*DTP*DAP*DGP*DGP*DCP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DAP*DGP*DGP*DGP*DAP*DTP*DGP*DC)-3'), DNA (5'-D(*DGP*DAP*DGP*DCP*DCP*DTP*DAP*DGP*DCP*DGP*DTP*DCP*DCP*DGP*DGP*DAP*DAP*DTP*DTP*DC)-3'), ... | Authors: | Lee, S.-H, Biertumpfel, C. | Deposit date: | 2016-09-09 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.00012732 Å) | Cite: | Human Holliday junction resolvase GEN1 uses a chromodomain for efficient DNA recognition and cleavage. Elife, 4, 2015
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5T7K
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![BU of 5t7k by Molmil](/molmil-images/mine/5t7k) | X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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1W07
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![BU of 1w07 by Molmil](/molmil-images/mine/1w07) | Arabidopsis thaliana acyl-CoA oxidase 1 | Descriptor: | ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Henriksen, A, Pedersen, L. | Deposit date: | 2004-06-01 | Release date: | 2004-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism J.Mol.Biol., 345, 2005
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1W69
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![BU of 1w69 by Molmil](/molmil-images/mine/1w69) | Crystal Structure of Mouse Ribonucleotide Reductase Subunit R2 under Reducing Conditions. A Fully Occupied Dinuclear Iron Cluster and Bound Acetate. | Descriptor: | ACETIC ACID, FE (II) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN | Authors: | Karlsen, S, Strand, K.R, Kolberg, M, Rohr, A.K, Gorbitz, C.H, Andersson, K.K. | Deposit date: | 2004-08-16 | Release date: | 2004-08-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse J.Biol.Chem., 279, 2004
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3OBJ
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![BU of 3obj by Molmil](/molmil-images/mine/3obj) | |
4QF9
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![BU of 4qf9 by Molmil](/molmil-images/mine/4qf9) | Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution | Descriptor: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Kristensen, C.M, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-05-20 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1. ACS Chem Neurosci, 6, 2015
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1XTU
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![BU of 1xtu by Molmil](/molmil-images/mine/1xtu) | Sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (UMP) and cytidine 5'-triphosphate (CTP) | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Probable uracil phosphoribosyltransferase, URIDINE-5'-MONOPHOSPHATE | Authors: | Arent, S, Harris, P, Jensen, K.F, Larsen, S. | Deposit date: | 2004-10-24 | Release date: | 2005-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,) Biochemistry, 44, 2005
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4P2Y
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1XTT
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![BU of 1xtt by Molmil](/molmil-images/mine/1xtt) | Sulfolobus solfataricus uracil phosphoribosyltransferase in complex with uridine 5'-monophosphate (UMP) | Descriptor: | ACETIC ACID, Probable uracil phosphoribosyltransferase, URIDINE-5'-MONOPHOSPHATE | Authors: | Arent, S, Harris, P, Jensen, K.F, Larsen, S. | Deposit date: | 2004-10-24 | Release date: | 2005-02-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,) Biochemistry, 44, 2005
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1XS1
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![BU of 1xs1 by Molmil](/molmil-images/mine/1xs1) | dCTP deaminase from Escherichia coli in complex with dUTP | Descriptor: | DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | Authors: | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | Deposit date: | 2004-10-18 | Release date: | 2004-12-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes J.Biol.Chem., 280, 2005
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1XTV
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![BU of 1xtv by Molmil](/molmil-images/mine/1xtv) | Sulfolobus solfataricus uracil phosphoribosyltransferase with uridine 5'-monophosphate (UMP) bound to half of the subunits | Descriptor: | Probable uracil phosphoribosyltransferase, URIDINE-5'-MONOPHOSPHATE | Authors: | Arent, S, Harris, P, Jensen, K.F, Larsen, S. | Deposit date: | 2004-10-24 | Release date: | 2005-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,) Biochemistry, 44, 2005
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4PO7
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![BU of 4po7 by Molmil](/molmil-images/mine/4po7) | Structure of the Sortilin:neurotensin complex at excess neurotensin concentration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotensin/neuromedin N, Sortilin, ... | Authors: | Quistgaard, E.M, Groftehauge, M.K, Thirup, S.S. | Deposit date: | 2014-02-25 | Release date: | 2014-07-23 | Last modified: | 2020-10-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Revisiting the structure of the Vps10 domain of human sortilin and its interaction with neurotensin. Protein Sci., 23, 2014
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4P3B
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3MPT
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![BU of 3mpt by Molmil](/molmil-images/mine/3mpt) | Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2010-04-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase. Bioorg.Med.Chem.Lett., 20, 2010
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4P3A
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1XR8
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![BU of 1xr8 by Molmil](/molmil-images/mine/1xr8) | Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3 | Descriptor: | Beta-2-microglobulin, EBNA-3 nuclear protein, GLYCEROL, ... | Authors: | Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M. | Deposit date: | 2004-10-14 | Release date: | 2005-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype Acta Crystallogr.,Sect.D, 62, 2006
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1ZWS
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1ZS2
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![BU of 1zs2 by Molmil](/molmil-images/mine/1zs2) | Amylosucrase Mutant E328Q in a ternary complex with sucrose and maltoheptaose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, van der Veen, B.A, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2005-05-23 | Release date: | 2006-05-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of the Glu328Gln mutant of Neisseria polysaccharea amylosucrase in complex with sucrose and maltoheptaose BIOCATAL.BIOTRANSFOR., 24, 2006
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