2VH6
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![BU of 2vh6 by Molmil](/molmil-images/mine/2vh6) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E. | Deposit date: | 2007-11-19 | Release date: | 2008-12-16 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs. Bioorg.Med.Chem.Lett., 18, 2008
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8J8D
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4BOM
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![BU of 4bom by Molmil](/molmil-images/mine/4bom) | Structure of herpesvirus fusion glycoprotein B-bilayer complex revealing the protein-membrane and lateral protein-protein interaction | Descriptor: | ENVELOPE GLYCOPROTEIN B | Authors: | Maurer, U.E, Zeev-Ben-Mordehai, Z, Pandurangan, A.P, Cairns, T.M, Hannah, B.P, Whitbeck, J.C, Eisenberg, R.J, Cohen, G.H, Topf, M, Huiskonen, J.T, Grunewald, K. | Deposit date: | 2013-05-21 | Release date: | 2013-07-31 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (27 Å) | Cite: | The structure of herpesvirus fusion glycoprotein B-bilayer complex reveals the protein-membrane and lateral protein-protein interaction. Structure, 21, 2013
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5WM7
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![BU of 5wm7 by Molmil](/molmil-images/mine/5wm7) | Crystal Structure of CahJ in Complex with AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Sikkema, A.P, Smith, J.L. | Deposit date: | 2017-07-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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3D3E
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![BU of 3d3e by Molmil](/molmil-images/mine/3d3e) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | Deposit date: | 2008-05-09 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
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5SVC
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![BU of 5svc by Molmil](/molmil-images/mine/5svc) | Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase nucleotide-free structure | Descriptor: | Acetone carboxylase alpha subunit, Acetone carboxylase beta subunit, Acetone carboxylase gamma subunit, ... | Authors: | Eilers, B.J, Mus, F, Alleman, A.B, Kabasakal, B.V, Murray, J.W, Nocek, B.P, Dubois, J.L, Peters, J.W. | Deposit date: | 2016-08-05 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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5MKQ
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![BU of 5mkq by Molmil](/molmil-images/mine/5mkq) | TtuA enzyme containing a [4Fe-4S] | Descriptor: | IRON/SULFUR CLUSTER, TtuA PH0300, ZINC ION | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | Deposit date: | 2016-12-05 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2YCG
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2I05
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![BU of 2i05 by Molmil](/molmil-images/mine/2i05) | Escherichia Coli Replication Terminator Protein (Tus) Complexed With TerA DNA | Descriptor: | 5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3', 5'-D(*TP*AP*GP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3', DNA replication terminus site-binding protein, ... | Authors: | Oakley, A.J, Mulcair, M.D, Schaeffer, P.M, Dixon, N.E. | Deposit date: | 2006-08-10 | Release date: | 2007-08-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Polarity of Termination of DNA Replication in E. coli To be Published
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6PIP
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2V0T
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![BU of 2v0t by Molmil](/molmil-images/mine/2v0t) | The A178L mutation in the C-terminal hinge of the flexible loop-6 of triosephosphate isomerase (TIM) induces a more closed conformation of this hinge region in dimeric and monomeric TIM | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL | Authors: | Alahuhta, M, Casteleijn, M.G, Neubauer, P, Wierenga, R.K. | Deposit date: | 2007-05-18 | Release date: | 2008-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies show that the A178L mutation in the C-terminal hinge of the catalytic loop-6 of triosephosphate isomerase (TIM) induces a closed-like conformation in dimeric and monomeric TIM. Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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5SX7
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![BU of 5sx7 by Molmil](/molmil-images/mine/5sx7) | Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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1RQE
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![BU of 1rqe by Molmil](/molmil-images/mine/1rqe) | Propionibacterium shermanii transcarboxylase 5S subunit bound to oxaloacetate | Descriptor: | COBALT (II) ION, OXALOACETATE ION, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2003-12-05 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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1FN1
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![BU of 1fn1 by Molmil](/molmil-images/mine/1fn1) | CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2 | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, DNA (5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3'), ... | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P.G. | Deposit date: | 2000-08-19 | Release date: | 2000-10-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2). Nucleic Acids Res., 28, 2000
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5SX0
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3NM3
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![BU of 3nm3 by Molmil](/molmil-images/mine/3nm3) | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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4ZCW
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![BU of 4zcw by Molmil](/molmil-images/mine/4zcw) | Structure of Human Enolase 2 in complex with SF2312 | Descriptor: | Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | Deposit date: | 2015-04-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
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8J8T
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5LC4
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![BU of 5lc4 by Molmil](/molmil-images/mine/5lc4) | Xray structure of mouse FAM3C ILEI dimer | Descriptor: | Protein FAM3C | Authors: | Johansson, P, Jansson, A. | Deposit date: | 2016-06-19 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer. J. Biol. Chem., 292, 2017
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2NC9
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![BU of 2nc9 by Molmil](/molmil-images/mine/2nc9) | Apo solution structure of Hop TPR2A | Descriptor: | Stress-induced-phosphoprotein 1 | Authors: | Darby, J.F, Vidler, L.R, Simpson, P.J, Matthews, S.J, Sharp, S.Y, Pearl, L.H, Hoelder, S, Workman, P. | Deposit date: | 2016-03-23 | Release date: | 2017-03-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches. Sci Rep, 10, 2020
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1BZX
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![BU of 1bzx by Molmil](/molmil-images/mine/1bzx) | THE CRYSTAL STRUCTURE OF ANIONIC SALMON TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | CALCIUM ION, PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Leiros, I, Berglund, G.I, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-11-05 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of anionic salmon trypsin in complex with bovine pancreatic trypsin inhibitor. Eur.J.Biochem., 256, 1998
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3X2U
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![BU of 3x2u by Molmil](/molmil-images/mine/3x2u) | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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2YEZ
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![BU of 2yez by Molmil](/molmil-images/mine/2yez) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 14-3-3 PROTEIN THETA, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21 | Authors: | Chappell, P, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2011-03-31 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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1KB2
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2VJC
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![BU of 2vjc by Molmil](/molmil-images/mine/2vjc) | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 150K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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