5EXN
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![BU of 5exn by Molmil](/molmil-images/mine/5exn) | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Authors: | Sheriff, S. | Deposit date: | 2015-11-23 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
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5EXL
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4YG4
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![BU of 4yg4 by Molmil](/molmil-images/mine/4yg4) | HipB-O1-O1* complex | Descriptor: | Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3') | Authors: | Schumacher, M.A. | Deposit date: | 2015-02-25 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance. Nature, 524, 2015
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4YG7
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![BU of 4yg7 by Molmil](/molmil-images/mine/4yg7) | Structure of FL autorepression promoter complex | Descriptor: | Antitoxin HipB, DNA (50-MER), Serine/threonine-protein kinase HipA | Authors: | Schumacher, M.A. | Deposit date: | 2015-02-25 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance. Nature, 524, 2015
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5EXM
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4Z39
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![BU of 4z39 by Molmil](/molmil-images/mine/4z39) | Structure of OBP3 from the vetch aphid Megoura viciae | Descriptor: | GLYCEROL, Odorant-binding protein, SULFATE ION | Authors: | Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri. Sci Rep, 6, 2016
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4Z79
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![BU of 4z79 by Molmil](/molmil-images/mine/4z79) | Leiomodin-1 Actin-Binding Site 2 (ABS2) | Descriptor: | CHLORIDE ION, GLYCEROL, Leiomodin-1 Actin-Binding Site 2 (ABS2), ... | Authors: | Rebowski, G, Boczkowska, M, Dominguez, R. | Deposit date: | 2015-04-06 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | How Leiomodin and Tropomodulin use a common fold for different actin assembly functions. Nat Commun, 6, 2015
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4Z94
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![BU of 4z94 by Molmil](/molmil-images/mine/4z94) | Actin Complex With a Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rebowski, G, Boczkowska, M, Dominguez, R. | Deposit date: | 2015-04-09 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | How Leiomodin and Tropomodulin use a common fold for different actin assembly functions. Nat Commun, 6, 2015
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5BTQ
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![BU of 5btq by Molmil](/molmil-images/mine/5btq) | Crystal structure of human heme oxygenase 1 H25R with biliverdin bound | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | Deposit date: | 2015-06-03 | Release date: | 2016-06-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis Biochemistry, 55, 2016
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5C97
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![BU of 5c97 by Molmil](/molmil-images/mine/5c97) | Insulin regulated aminopeptidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucyl-cystinyl aminopeptidase, ... | Authors: | Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing. J Immunol., 195, 2015
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3IHG
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![BU of 3ihg by Molmil](/molmil-images/mine/3ihg) | Crystal structure of a ternary complex of aklavinone-11 hydroxylase with FAD and aklavinone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, RdmE, SULFATE ION, ... | Authors: | Lindqvist, Y, Koskiniemi, H, Jansson, A, Sandalova, T, Schneider, G. | Deposit date: | 2009-07-30 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural basis for substrate recognition and specificity in aklavinone-11-hydroxylase from rhodomycin biosynthesis. J.Mol.Biol., 393, 2009
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1KBQ
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![BU of 1kbq by Molmil](/molmil-images/mine/1kbq) | Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) | Descriptor: | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Faig, M, Bianchet, M.A, Amzel, L.M. | Deposit date: | 2001-11-06 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches. Biochemistry, 40, 2001
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3FGH
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![BU of 3fgh by Molmil](/molmil-images/mine/3fgh) | Human mitochondrial transcription factor A box B | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | Authors: | Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A. | Deposit date: | 2008-12-06 | Release date: | 2009-04-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A Nucleic Acids Res., 37, 2009
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4MG5
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![BU of 4mg5 by Molmil](/molmil-images/mine/4mg5) | Crystal structure of hERa-LBD (Y537S) in complex with chlordecone | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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1BHW
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![BU of 1bhw by Molmil](/molmil-images/mine/1bhw) | LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF XYLOSE ISOMERASE FROM MASC DATA | Descriptor: | XYLOSE ISOMERASE | Authors: | Ramin, M, Shepard, W, Fourme, R, Kahn, R. | Deposit date: | 1998-06-10 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Multiwavelength anomalous solvent contrast (MASC): derivation of envelope structure-factor amplitudes and comparison with model values. Acta Crystallogr.,Sect.D, 55, 1999
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4KBK
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4KBC
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4KB8
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5TKS
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![BU of 5tks by Molmil](/molmil-images/mine/5tks) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TKU
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![BU of 5tku by Molmil](/molmil-images/mine/5tku) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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4MGB
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![BU of 4mgb by Molmil](/molmil-images/mine/4mgb) | Crystal structure of hERa-LBD (Y537S) in complex with TCBPA | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4JBS
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![BU of 4jbs by Molmil](/molmil-images/mine/4jbs) | Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 in complex with PHOSPHINIC PSEUDOTRIPEPTIDE inhibitor. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | Authors: | Saridakis, E, Birtley, J, Stratikos, E, Mavridis, I.M. | Deposit date: | 2013-02-20 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | Rationally designed inhibitor targeting antigen-trimming aminopeptidases enhances antigen presentation and cytotoxic T-cell responses. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MG8
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![BU of 4mg8 by Molmil](/molmil-images/mine/4mg8) | Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol | Descriptor: | 1,2-ETHANEDIOL, Estrogen receptor, GLYCEROL, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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5TKT
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![BU of 5tkt by Molmil](/molmil-images/mine/5tkt) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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1HQZ
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![BU of 1hqz by Molmil](/molmil-images/mine/1hqz) | Cofilin homology domain of a yeast actin-binding protein ABP1P | Descriptor: | ACTIN-BINDING PROTEIN | Authors: | Strokopytov, B.V, Fedorov, A.A, Mahoney, N, Drubin, D.G, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2000-12-20 | Release date: | 2001-12-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phased translation function revisited: structure solution of the cofilin-homology domain from yeast actin-binding protein 1 using six-dimensional searches. Acta Crystallogr.,Sect.D, 61, 2005
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