1NM6
 
 | | thrombin in complex with selective macrocyclic inhibitor at 1.8A | | Descriptor: | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENICOSINE-3,24-DIONE, Hirudin, thrombin | | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | | Deposit date: | 2003-01-09 | | Release date: | 2003-09-02 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors
Bioorg.Med.Chem.Lett., 13, 2003
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4ZMQ
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4AUC
 | | Bovine chymosin in complex with Pepstatin A | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ... | | Authors: | Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S. | | Deposit date: | 2012-05-16 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structure of Bovine Chymosin in Complex with Pepstatin A
To be Published
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3FI9
 | | Crystal structure of malate dehydrogenase from Porphyromonas gingivalis | | Descriptor: | Malate dehydrogenase | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Miller, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-12-11 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of malate dehydrogenase from Porphyromonas gingivalis
To be Published
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1NT1
 | | thrombin in complex with selective macrocyclic inhibitor | | Descriptor: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | | Deposit date: | 2003-01-28 | | Release date: | 2003-09-02 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors
Bioorg.Med.Chem.Lett., 13, 2003
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1NTJ
 | | Model of rat Crry determined by solution scattering, curve fitting and homology modelling | | Descriptor: | complement receptor related protein | | Authors: | Aslam, M, Guthridge, J.M, Hack, B.K, Quigg, R.J, Holers, V.M, Perkins, S.J. | | Deposit date: | 2003-01-30 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | SOLUTION SCATTERING (30 Å) | | Cite: | The Extended Multidomain Solution Structures of the Complement Protein
Crry and its Chimeric Conjugate Crry-Ig by Scattering, Analytical
Ultracentrifugation and Constrained Modelling: Implications for Function and
Therapy
J.Mol.Biol., 329, 2003
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1Q5H
 | | Human dUTP Pyrophosphatase complex with dUDP | | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase | | Authors: | Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A. | | Deposit date: | 2003-08-07 | | Release date: | 2003-08-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits
Structure, 4, 1996
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3D47
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and D-malate | | Descriptor: | D-MALATE, MAGNESIUM ION, Putative galactonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-05-14 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and D-malate.
To be Published
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2HE2
 | | Crystal structure of the 3rd PDZ domain of human discs large homologue 2, DLG2 | | Descriptor: | Discs large homolog 2 | | Authors: | Turnbull, A.P, Phillips, C, Berridge, G, Savitsky, P, Smee, C.E.A, Papagrigoriou, E, Debreczeni, J, Gorrec, F, Elkins, J.M, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-21 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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1LJL
 | | Wild Type pI258 S. aureus arsenate reductase | | Descriptor: | POTASSIUM ION, arsenate reductase | | Authors: | Messens, J, Martins, J.C, Van Belle, K, Brosens, E, Desmyter, A, De Gieter, M, Wieruszeski, J.M, Willem, R, Wyns, L, Zegers, I. | | Deposit date: | 2002-04-21 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | All intermediates of the arsenate reductase mechanism, including an intramolecular dynamic disulfide cascade.
Proc.Natl.Acad.Sci.USA, 99, 2002
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3HSS
 | | A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Johnston, J.M, Baker, E.N. | | Deposit date: | 2009-06-10 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
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2FCF
 | | The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1) | | Descriptor: | Multiple PDZ domain protein | | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-12-12 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2F2K
 | | Aldose reductase tertiary complex with NADPH and DEG | | Descriptor: | Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K. | | Deposit date: | 2005-11-17 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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1Q5U
 | | HUMAN DUTP PYROPHOSPHATASE | | Descriptor: | dUTP pyrophosphatase | | Authors: | Mol, C.D, Harris, J.M, Mcintosh, E.M, Tainer, J.A. | | Deposit date: | 2003-08-11 | | Release date: | 2003-08-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human dUTP Pyrophosphatase: Uracil Recognition by a Beta Hairpin and Active Sites Formed by Three Separate Subunits
Structure, 4, 1996
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1L2M
 | | Minimized Average Structure of the N-terminal, DNA-binding domain of the replication initiation protein from a geminivirus (Tomato yellow leaf curl virus-Sardinia) | | Descriptor: | Rep protein | | Authors: | Campos-Olivas, R, Louis, J.M, Clerot, D, Gronenborn, B, Gronenborn, A.M. | | Deposit date: | 2002-02-22 | | Release date: | 2002-09-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of a replication initiator unites diverse aspects of nucleic acid metabolism
Proc.Natl.Acad.Sci.USA, 99, 2002
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4ZMT
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1L3L
 | | Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA | | Descriptor: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR | | Authors: | Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A. | | Deposit date: | 2002-02-27 | | Release date: | 2002-07-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA.
Nature, 417, 2002
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4ZMW
 | | Crystal structure of human P-cadherin (enc-X-dimer) | | Descriptor: | CALCIUM ION, Cadherin-3, NICKEL (II) ION, ... | | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | | Deposit date: | 2015-05-04 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
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4B53
 | | Crystal structure of the isolated IgG4 CH3 domain | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Davies, A.M, Rispens, T, den Bleker, T.H, McDonnell, J.M, Gould, H.J, Aalberse, R.C, Sutton, B.J. | | Deposit date: | 2012-08-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Human Igg4 C(H)3 Dimer Reveals the Role of Arg409 in the Mechanism of Fab-Arm Exchange.
Mol.Immunol., 54, 2012
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3PWF
 | | High resolution structure of the fully reduced form of rubrerythrin from P. furiosus | | Descriptor: | FE (II) ION, Rubrerythrin | | Authors: | Dillard, B.D, Demick, J.M, Adams, M.W, Lanzilotta, W.N. | | Deposit date: | 2010-12-08 | | Release date: | 2011-06-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus.
J.Biol.Inorg.Chem., 16, 2011
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3I5T
 | | CRYSTAL STRUCTURE OF AMINOTRANSFERASE PRK07036 FROM Rhodobacter sphaeroides KD131 | | Descriptor: | Aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Patskovsky, Y, Toro, R, Freeman, J, Do, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-07-06 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF AMINOTRANSFERASE PRK07036 FROM Rhodobacter sphaeroides
To be Published
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3BPD
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1L5E
 | | The domain-swapped dimer of CV-N in solution | | Descriptor: | Cyanovirin-N | | Authors: | Barrientos, L.G, Louis, J.M, Botos, I, Mori, T, Han, Z, O'Keefe, B.R, Boyd, M.R, Wlodawer, A, Gronenborn, A.M. | | Deposit date: | 2002-03-06 | | Release date: | 2002-06-05 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The domain-swapped dimer of cyanovirin-N is in a metastable folded state: reconciliation of X-ray and NMR structures.
Structure, 10, 2002
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3BQ9
 | | Crystal structure of predicted nucleotide-binding protein from Idiomarina baltica OS145 | | Descriptor: | GLYCEROL, Predicted Rossmann fold nucleotide-binding domain-containing protein, SULFATE ION | | Authors: | Patskovsky, Y, Toro, R, Meyer, A.J, Dickey, M, Eberle, M, Koss, J, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-19 | | Release date: | 2008-01-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Predicted Nucleotide-Binding Protein from Idiomarina baltica.
To be Published
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