7KTU
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4PR9
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![BU of 4pr9 by Molmil](/molmil-images/mine/4pr9) | Human Vinculin (residues 891-1066) in complex with PIP | Descriptor: | GLYCEROL, Vinculin, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Chinthalapudi, K, Rangarajan, E.S, Patil, D, Izard, T. | Deposit date: | 2014-03-05 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mechanism and function of lipid-directed oligomerization of vinculin To be Published
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7KTV
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7KTT
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7KTW
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1IM3
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![BU of 1im3 by Molmil](/molmil-images/mine/1im3) | Crystal Structure of the human cytomegalovirus protein US2 bound to the MHC class I molecule HLA-A2/tax | Descriptor: | HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN, Human T-cell lymphotropic virus type 1 Tax peptide, ... | Authors: | Gewurz, B.E, Gaudet, R, Tortorella, D, Wang, E.W, Ploegh, H.L, Wiley, D.C. | Deposit date: | 2001-05-09 | Release date: | 2001-06-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antigen presentation subverted: Structure of the human cytomegalovirus protein US2 bound to the class I molecule HLA-A2. Proc.Natl.Acad.Sci.USA, 98, 2001
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3ELD
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![BU of 3eld by Molmil](/molmil-images/mine/3eld) | Wesselsbron methyltransferase in complex with Sinefungin | Descriptor: | Methyltransferase, SINEFUNGIN, SULFATE ION | Authors: | Bollati, M, Milani, M, Mastrangelo, E, Ricagno, S, Bolognesi, M. | Deposit date: | 2008-09-22 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus J.Mol.Biol., 385, 2009
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1TWX
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![BU of 1twx by Molmil](/molmil-images/mine/1twx) | Crystal structure of the thrombin mutant D221A/D222K | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin | Authors: | Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E. | Deposit date: | 2004-07-01 | Release date: | 2005-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form Biophys.Chem., 112, 2004
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4MTZ
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![BU of 4mtz by Molmil](/molmil-images/mine/4mtz) | Structure of XIAP-BIR1 in complex with NF023 | Descriptor: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, E3 ubiquitin-protein ligase XIAP, SULFATE ION, ... | Authors: | Cossu, F, Milani, M, Grassi, S, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2013-09-20 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-protein interactions in nfkb pathway: novel tools to promote apoptosis in cancer therapy To be Published
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4NRT
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![BU of 4nrt by Molmil](/molmil-images/mine/4nrt) | Human Norovirus polymerase bound to Compound 6 (suramin derivative) | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp | Authors: | Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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2QEQ
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1YYY
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![BU of 1yyy by Molmil](/molmil-images/mine/1yyy) | Trypsin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-06-03 | Release date: | 1999-06-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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2OK8
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![BU of 2ok8 by Molmil](/molmil-images/mine/2ok8) | Ferredoxin-NADP+ reductase from Plasmodium falciparum | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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1A61
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![BU of 1a61 by Molmil](/molmil-images/mine/1a61) | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-06-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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2OK7
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![BU of 2ok7 by Molmil](/molmil-images/mine/2ok7) | Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase, ... | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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4P85
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![BU of 4p85 by Molmil](/molmil-images/mine/4p85) | Crystal structure of Est-Y29, a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library | Descriptor: | DIETHYL PHOSPHONATE, Est-Y29 | Authors: | Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Kim, K.K, Kim, D.H. | Deposit date: | 2014-03-30 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic analysis and biochemical applications of a novel penicillin-binding protein/ beta-lactamase homologue from a metagenomic library. Acta Crystallogr.,Sect.D, 70, 2014
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4P87
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![BU of 4p87 by Molmil](/molmil-images/mine/4p87) | Crystal structure of Est-Y29, a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library | Descriptor: | 4-NITROPHENYL PHOSPHATE, Est-Y29 | Authors: | Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Kim, K.K, Kim, D.H. | Deposit date: | 2014-03-30 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Crystallographic analysis and biochemical applications of a novel penicillin-binding protein/ beta-lactamase homologue from a metagenomic library. Acta Crystallogr.,Sect.D, 70, 2014
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2FS5
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![BU of 2fs5 by Molmil](/molmil-images/mine/2fs5) | Crystal structure of TDP-fucosamine acetyltransferase (WecD)- apo form | Descriptor: | TDP-Fucosamine acetyltransferase, ZINC ION | Authors: | Hung, M.N, Rangarajan, E, Munger, C, Nadeau, G, Sulea, T, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2006-01-20 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of TDP-Fucosamine Acetyltransferase (WecD) from Escherichia coli, an Enzyme Required for Enterobacterial Common Antigen Synthesis. J.Bacteriol., 188, 2006
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1ZZZ
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![BU of 1zzz by Molmil](/molmil-images/mine/1zzz) | Trypsin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-06-02 | Release date: | 1999-06-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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2FT0
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![BU of 2ft0 by Molmil](/molmil-images/mine/2ft0) | Crystal structure of TDP-fucosamine acetyltransferase (WecD)- complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, TDP-fucosamine acetyltransferase | Authors: | Hung, M.N, Rangarajan, E, Munger, C, Nadeau, G, Sulea, T, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2006-01-23 | Release date: | 2006-08-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structure of TDP-Fucosamine Acetyltransferase (WecD) from Escherichia coli, an Enzyme Required for Enterobacterial Common Antigen Synthesis. J.Bacteriol., 188, 2006
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1HXE
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![BU of 1hxe by Molmil](/molmil-images/mine/1hxe) | SERINE PROTEASE | Descriptor: | HIRUDIN VARIANT-1, RUBIDIUM ION, THROMBIN | Authors: | Tulinsky, A, Zhang, E. | Deposit date: | 1995-12-07 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The molecular environment of the Na+ binding site of thrombin. Biophys.Chem., 63, 1997
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1A46
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![BU of 1a46 by Molmil](/molmil-images/mine/1a46) | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | Descriptor: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-11 | Release date: | 1998-05-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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2RB9
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![BU of 2rb9 by Molmil](/molmil-images/mine/2rb9) | Crystal structure of E.coli HypE | Descriptor: | HypE protein | Authors: | Asinas, A.E, Rangarajan, E.S, Min, T, Matte, A, Proteau, A, Munger, C, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2007-09-18 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of [NiFe] hydrogenase maturation protein HypE from Escherichia coli and its interaction with HypF. J.Bacteriol., 190, 2008
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1NEL
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![BU of 1nel by Molmil](/molmil-images/mine/1nel) | FLUORIDE INHIBITION OF YEAST ENOLASE: CRYSTAL STRUCTURE OF THE ENOLASE-MG2+-F--PI COMPLEX AT 2.6-ANGSTROMS RESOLUTION | Descriptor: | ENOLASE, FLUORIDE ION, MAGNESIUM ION, ... | Authors: | Lebioda, L, Zhang, E, Lewinski, K, Brewer, M.J. | Deposit date: | 1993-08-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fluoride inhibition of yeast enolase: crystal structure of the enolase-Mg(2+)-F(-)-Pi complex at 2.6 A resolution. Proteins, 16, 1993
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2ZHY
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![BU of 2zhy by Molmil](/molmil-images/mine/2zhy) | Crystal structure of a pduO-type ATP:cobalamin adenosyltransferase from Burkholderia thailandensis | Descriptor: | ATP:cob(I)alamin adenosyltransferase, putative | Authors: | Moon, J.H, Park, A.K, Jang, E.H, Kim, H.S, Chi, Y.M. | Deposit date: | 2008-02-11 | Release date: | 2008-07-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a PduO-type ATP:cobalamin adenosyltransferase from Burkholderia thailandensis. Proteins, 72, 2008
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